SCHEMBL6284702

SCHEMBL6284702

Cc1ccc2nc(-c3n[nH]c4c3CNCC4)[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.46
HTR1D P28221 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR1E P28566 1/20 0.46
HTR2B P41595 1/20 0.46
HTR6 P50406 1/20 0.46
SOS1 Q07889 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
METAP2 P50579 2/20 0.41
METAP1 P53582 2/20 0.41
CBFB Q13951 1/20 0.41
PKM P14618 2/20 0.41
TP53 P04637 2/20 0.41

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
SCHEMBL5951979 0.86 SOS1 (0.45) HTR7HTR1DHTR2AHTR2CHTR1E
SCHEMBL5952867 0.82 SOS1 (0.47) HTR7HTR1DHTR2AHTR2CHTR1E
SCHEMBL5952436 0.76 PDPK1 (0.43) HTR7HTR1DHTR2AHTR2CHTR1E
SCHEMBL18934294 0.74 HTR7 (0.80) HTR7HTR1DHTR2AHTR2CHTR1E
SCHEMBL23567455 0.72 ITK (0.59)
SCHEMBL4947379 0.71 AURKA (0.55) SOS1
SCHEMBL5952112 0.70 MAPT (0.46) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL5952714 0.70 MAPT (0.49) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL5952998 0.69 MAPT (0.44) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL16200134 0.67 SOS1 (0.51) HTR7HTR1DHTR2AHTR2CHTR1E

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
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US claimed