SCHEMBL3654232

SCHEMBL3654232

O=C(Cl)Oc1cc(Cl)nc(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.41
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
ATF1 P18846 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
FFAR1 O14842 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11024647 0.83 LMNA (0.38) S1PR2LMNAALDH1A1KMT2AMAPT
SCHEMBL9196580 0.82 ALDH1A1 (0.50) LMNAALDH1A1KMT2AMAPTCYP1A2
SCHEMBL27592476 0.82 LMNA (0.36) S1PR2LMNAALDH1A1KMT2AMAPT
SCHEMBL1743947 0.80 KMT2A (0.47) S1PR2LMNAALDH1A1KMT2AMAPT
SCHEMBL28429629 0.77 ALDH1A1 (0.36) S1PR2LMNAALDH1A1KMT2AMAPT
SCHEMBL8389479 0.76 S1PR2 (0.35) S1PR2ALDH1A1MAPTFFAR1
SCHEMBL2928544 0.76 S1PR2 (0.45) S1PR2LMNAALDH1A1KMT2AMAPT
SCHEMBL11344361 0.74 LMNA (0.49) S1PR2LMNAALDH1A1KMT2AMAPT
SCHEMBL9565278 0.73 PLAAT3 (0.34) LMNAALDH1A1MAPTFFAR1KDM4E
Bicarbonate SCHEMBL10635309 0.72 LMNA (0.46) S1PR2LMNAALDH1A1KMT2AATF1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205590-B1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-06-04 EP disclosed
EP-2205590-A1 CGRP ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-07-14 EP disclosed
WO-2009050232-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
EP-0321784-B1 FORMAZANE DYES CONTAINING HEAVY METALS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING AND PRINTING FIBROUS MATERIALS BAYER AG (DE) 1992-03-18 EP disclosed
EP-0255890-B1 PROCESS FOR THE REACTION OF AMINES WITH HETEROCYCLIC REACTIVE COMPOUNDS BAYER AG (DE) 1990-08-29 EP disclosed
EP-0213071-B1 PROCESS FOR THE PREPARATION OF FIBRE-REACTIVE AZO COMPOUNDS CIBA-GEIGY AG (CH) 1989-03-08 EP disclosed
EP-0151792-B1 REACTION OF AMINES WITH HETEROCYCLIC REACTIVE COMPOUNDS BAYER AG (DE) 1988-11-30 EP disclosed
EP-0255890-A1 Process for the reaction of amines with heterocyclic reactive compounds BAYER AG (DE) 1988-02-17 EP disclosed
EP-0158882-B1 TRIPHENEDIOXAZINE DYES BAYER AG (DE) 1987-12-16 EP disclosed
EP-0213071-A1 Process for the preparation of fibre-reactive azo compounds CIBA-GEIGY AG (CH) 1987-03-04 EP disclosed
EP-0050266-A1 Reactive disazo dyes, process for their preparation and their use in dyeing and printing materials that contain hydroxyl and/or nitrogen BAYER AG (DE) 1982-04-28 EP disclosed
EP-0043411-A2 Reactive disazo dyestuffs, process for their preparation and their use in dyeing and printing materials containing nitrogen and/or hydroxyle groups BAYER AG (DE) 1982-01-13 EP disclosed
EP-0001451-B1 WATER-SOLUBLE AZO-PHTHALOCYANINE FIBRE-REACTIVE DYESTUFFS, THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1981-09-23 EP disclosed
EP-0001629-B1 WATER-SOLUBLE, FIBRE-REACTIVE, GREEN AZO-PHTHALOCYANINE DYESTUFFS, THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1981-08-12 EP disclosed
EP-0028351-A2 Reactive dyestuffs and their use in dyeing materials containing OH or NH BAYER AG (DE) 1981-05-13 EP disclosed
EP-0021372-A2 Copper complexes of disazo reactive dyestuffs BAYER AG (DE) 1981-01-07 EP disclosed
EP-0013936-A1 Reactive azo dyestuffs, their preparation and their use in dyeing materials containing hydroxyl groups and amide groups BAYER AG (DE) 1980-08-06 EP disclosed
EP-0001614-A1 Water-soluble, fibre-reactive, green azo-phthalocyanine dyestuffs, their preparation and their application, as well as the phthalocyanine pyrazolone intermediates and their preparation CASSELLA Aktiengesellschaft (DE) 1979-05-02 EP disclosed
EP-0001629-A1 Water-soluble, fibre-reactive, green azo-phthalocyanine dyestuffs, their preparation and their use CASSELLA Aktiengesellschaft (DE) 1979-05-02 EP disclosed
EP-0001451-A1 Water-soluble azo-phthalocyanine fibre-reactive dyestuffs, their preparation and their use CASSELLA Aktiengesellschaft (DE) 1979-04-18 EP disclosed