SCHEMBL2928544

SCHEMBL2928544

O=C(Cl)Oc1cc(Cl)nc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 3/20 0.45
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
FFAR1 O14842 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL6181061 0.85 ALDH1A1 (0.41) S1PR2MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL6036823 0.84 S1PR2 (0.43) S1PR2BCHEACHEMAPTALDH1A1
SCHEMBL9426950 0.82 MEN1 (0.48) S1PR2BCHEACHEMAPTALDH1A1
SCHEMBL998315 0.82 KMT2A (0.39) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6982295 0.79 S1PR2 (0.44) S1PR2BCHEACHEMAPTALDH1A1
SCHEMBL9650144 0.77 RECQL (0.41) ALDH1A1FFAR1NFE2L2HTT
SCHEMBL3654232 0.76 S1PR2 (0.41) S1PR2BCHEACHEMAPTALDH1A1
SCHEMBL9426497 0.76 S1PR2 (0.41) S1PR2BCHEACHEKDM4ESMN1; SMN2
SCHEMBL1368673 0.74 S1PR2 (0.40) S1PR2BCHEACHEMAPTALDH1A1
SCHEMBL9649784 0.74 CA2 (0.43) S1PR2BCHEACHEMAPTALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225223-B1 ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-01-11 EP disclosed
EP-2205590-B1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-06-04 EP disclosed
EP-2251338-A2 Organic compounds Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
EP-2225223-A2 ORGANIC COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-09-08 EP disclosed
EP-2205590-A1 CGRP ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-07-14 EP disclosed
WO-2009065919-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 WO disclosed
WO-2009050232-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
WO-2002050072-A1 DICHLOROPYRIDINE CARBAMIDES BAYER CROPSCIENCE AG (DE) 2002-06-27 WO disclosed
EP-0244728-B1 USE OF HETEROARYLETHYL AMINES TO STIMULATE ANIMAL GROWTH, HETEROARYLETHYL AMINES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1992-11-11 EP disclosed
EP-0450180-A2 Process for the preparation of aminoethanol derivatives BAYER AG (DE) 1991-10-09 EP disclosed
EP-0368176-A1 Esters of carboximidic acid, their preparation, and their use as pesticides CIBA-GEIGY AG (CH) 1990-05-16 EP disclosed
EP-0244728-A2 Use of heteroarylethyl amines to stimulate animal growth, heteroarylethyl amines and process for their preparation BAYER AG (DE) 1987-11-11 EP disclosed
EP-0013361-B1 SUBSTITUTED N-HALOGENOMETHYL ANILIDES, PROCESS FOR THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1981-09-16 EP disclosed
EP-0013361-A2 Substituted N-halogenomethyl anilides, process for their preparation and use BASF Aktiengesellschaft (DE) 1980-07-23 EP disclosed
EP-0013360-A2 N-substituted carboxylic acid anilides, process for their preparation as well as their use as fungicides BASF Aktiengesellschaft (DE) 1980-07-23 EP disclosed