SCHEMBL6769890

SCHEMBL6769890

c1ccc2c(c1)sc1ccc(NCc3ccsc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.45
PTGIR P43119 1/20 0.40
DHODH Q02127 1/20 0.39
GPR3 P46089 1/20 0.39
HDAC1 Q13547 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
EGFR P00533 1/20 0.36
PRSS12 P56730 1/20 0.35
CYP1A2 P05177 1/20 0.35
GRM5 P41594 1/20 0.35
NAMPT P43490 1/20 0.35
MRGPRX1 Q96LB2 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 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
SCHEMBL6768403 0.84 HDAC1 (0.50) MAPTPTGIRDHODHGPR3HDAC1
SCHEMBL6526964 0.78 INSR (0.52) MAPTPTGIRHDAC1MEN1POLB
SCHEMBL6497967 0.77 NPC1 (0.48) NPC1MAPTMEN1GAAKMT2A
SCHEMBL6770347 0.76 TRPV1 (0.54) MAPTPTGIRDHODHHDAC1MEN1
SCHEMBL6529991 0.76 NPC1 (0.55) NPC1MAPTMEN1POLBGAA
SCHEMBL6526369 0.74 MAPT (0.55) NPC1MAPTMEN1POLBGAA
SCHEMBL6527944 0.73 MAPT (0.43) MAPTPTGIRDHODHGPR3CRHBP
SCHEMBL6775812 0.73 MAPT (0.43) MAPTPTGIRDHODHGPR3MEN1
SCHEMBL6528974 0.73 MAPT (0.55) MAPTPTGIRDHODHGPR3CRHBP
SCHEMBL6768996 0.73 RAB9A (0.45) NPC1MAPTPTGIRDHODHGPR3

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