SCHEMBL6918878

SCHEMBL6918878

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2noc(=O)[nH]2)cc2ccc(OCc3ccccc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 7/20 0.45
SRD5A2 P31213 1/20 0.41
KDM1A O60341 3/20 0.39
MET P08581 2/20 0.38
MAPT P10636 1/20 0.38
MAOA P21397 5/20 0.37
MAOB P27338 3/20 0.37
WNT1 P04628 1/20 0.35
DYRK1A Q13627 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL6710387 0.97 TDP2 (0.43) TDP2SRD5A2KDM1AMETMAPT
SCHEMBL6919512 0.91 TDP2 (0.40) TDP2SRD5A2KDM1AMAOA
SCHEMBL6714061 0.90 PLA2G4A (0.39) TDP2KDM1AMAPT
SCHEMBL6710220 0.89 SRD5A2 (0.42) SRD5A2KDM1AMAPTMAOAMAOB
SCHEMBL6709188 0.89 SRD5A2 (0.42) SRD5A2KDM1AMAPTMAOAMAOB
SCHEMBL6708819 0.88 KDM1A (0.43) KDM1AMAOARCOR1
SCHEMBL6708917 0.86 KDM1A (0.43) KDM1AMAOARCOR1
SCHEMBL6710086 0.85 MET (0.38) TDP2KDM1AMETMAPT
SCHEMBL6711922 0.85 LMNA (0.34) TDP2KDM1AMAPTROCK2
SCHEMBL6707785 0.85 TDP2 (0.44) TDP2SRD5A2KDM1AMETMAOA

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-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed