SCHEMBL9696059

SCHEMBL9696059

O=c1[nH]c2ncccc2cc1C(Cl)Cl

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.59
AURKA O14965 1/20 0.44
PARP1 P09874 1/20 0.44
RIPK1 Q13546 13/20 0.42
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
APAF1 O14727 1/20 0.38
TDP2 O95551 1/20 0.38
CDC25B P30305 1/20 0.38
CASP6 P55212 1/20 0.38
RCE1 Q9Y256 1/20 0.38

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
SCHEMBL17131587 0.84 DAO (0.59) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL17601450 0.81 DAO (0.56) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL17601449 0.81 DAO (0.56) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL671495 0.78 DAO (0.65) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL668758 0.75 DAO (0.65) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL29756947 0.75 DAO (0.65) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL15528142 0.75 DAO (0.65) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL435130 0.75 DAO (0.65) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL21226786 0.75 DAO (0.65) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL1574005 0.75 DAO (0.65) DAOAURKAPARP1RIPK1CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992007468-A1 HERBICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-05-14 WO disclosed