SCHEMBL3656329

SCHEMBL3656329

O=C(O)Oc1cc(Cl)nnc1Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ 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
▸ CASP1 P29466 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL5740998 0.84 TDP1 (0.39) TDP1ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL27579779 0.82 CFD (0.41) TDP1ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL29053513 0.79 ALDH1A1 (0.41) TDP1ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL16493944 0.74 LMNA (0.48) ALDH1A1LMNARAB9AL3MBTL1SMN1; SMN2
SCHEMBL29412881 0.72 KEAP1 (0.48) TDP1ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL104396 0.72 KEAP1 (0.48) TDP1ALDH1A1LMNARAB9AL3MBTL1
Hydrochloric Acid SCHEMBL6331781 0.71 KEAP1 (0.47) TDP1ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL23554633 0.70 TDP1 (0.44) TDP1ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL29549875 0.70 ALDH1A1 (0.45) TDP1ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL2047755 0.70 ALDH1A1 (0.45) TDP1ALDH1A1LMNARAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3325446-A1 SUBSTITUTED ARYL AND HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2018-05-30 — — EP disclosed
WO-2017012966-A1 SUBSTITUTED ARYL AND HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-01-26 — — WO disclosed
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-0071168-B1 WATER-SOLUBLE DISAZO COMPOUNDS AND BIS-(AMINO-PHENOXY)-ETHANE COMPOUNDS WITH FIBRE REACTIVE GROUPS AS TETRAZO COMPOUNDS, PROCESS FOR THE PREPARATION OF THESE COMPOUNDS AND THE USE OF THE DISAZO COMPOUNDS AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1985-01-30 — — EP disclosed
EP-0071168-A2 Water-soluble disazo compounds and bis-(amino-phenoxy)-ethane compounds with fibre reactive groups as tetrazo compounds, process for the preparation of these compounds and the use of the disazo compounds as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-09 — — EP disclosed
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