SCHEMBL7008491

SCHEMBL7008491

COc1ccc(C(=O)Nc2ccc3c(c2)C2(C)CCCN2CC3)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
BRAF P15056 13/20 0.44
RAF1 P04049 1/20 0.44
ROCK2 O75116 1/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL7979562 0.83 MAPT (0.50) MAPTTP53THRBSMN1; SMN2MEN1
SCHEMBL6293655 0.78 ROCK2 (0.61) MAPTTP53THRBSMN1; SMN2MEN1
SCHEMBL8023041 0.78 MAPT (0.48) MAPTTP53THRBSMN1; SMN2MEN1
SCHEMBL7801373 0.77 ROCK2 (0.55) MAPTTP53THRBSMN1; SMN2MEN1
SCHEMBL7660377 0.76 MAPT (0.52) MAPTTP53THRBSMN1; SMN2MEN1
SCHEMBL6294900 0.75 ABCB1 (0.54) MAPTTP53THRBSMN1; SMN2MEN1
SCHEMBL7989876 0.75 MAPT (0.47) MAPTTP53THRBSMN1; SMN2MEN1
SCHEMBL6293557 0.75 NPC1 (0.50) MAPTTP53THRBSMN1; SMN2MEN1
SCHEMBL6293579 0.75 ROCK2 (0.53) MAPTTP53THRBSMN1; SMN2MEN1
SCHEMBL7012602 0.75 MAPT (0.49) MAPTTP53THRBSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP claimed
EP-1102769-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2001-05-30 EP claimed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 WO claimed
EP-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP disclosed
EP-1102769-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2001-05-30 EP disclosed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 WO disclosed