SCHEMBL6770092

SCHEMBL6770092

Brc1ccccc1CNc1ccc2sc3ccccc3c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
UTS2R Q9UKP6 2/20 0.42
PTGIR P43119 1/20 0.41
DHODH Q02127 1/20 0.40
GPR3 P46089 1/20 0.40
HDAC6 Q9UBN7 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
EGFR P00533 1/20 0.36
CYP1A2 P05177 2/20 0.36
CD38 P28907 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PLA2G1B P04054 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL6528974 0.83 MAPT (0.55) MAPTPTGIRDHODHGPR3CRHBP
SCHEMBL6768996 0.83 RAB9A (0.45) MAPTPTGIRDHODHGPR3CYP1A2
SCHEMBL6775812 0.83 MAPT (0.43) MAPTPTGIRDHODHGPR3MEN1
SCHEMBL6527513 0.80 UTS2R (0.45) MAPTUTS2RPTGIRDHODHGPR3
SCHEMBL6768403 0.79 HDAC1 (0.50) MAPTPTGIRDHODHGPR3EGFR
SCHEMBL6526572 0.78 MAPT (0.56) MAPTDHODHMEN1KMT2AATM
SCHEMBL6526797 0.77 MAPT (0.50) MAPTPTGIRDHODHGPR3MEN1
SCHEMBL6527467 0.77 DHODH (0.43) MAPTPTGIRDHODHGPR3MEN1
SCHEMBL6530153 0.77 CYP1A2 (0.42) MAPTPTGIRDHODHGPR3HDAC6
SCHEMBL6528050 0.77 CYP1A2 (0.45) MAPTPTGIRDHODHGPR3CRHBP

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-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 US claimed