SCHEMBL7012290

SCHEMBL7012290

COc1ccc(C(=O)Nc2ccc3c(c2)C2CCCN2C(C)C3)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
BRAF P15056 7/20 0.45
RAF1 P04049 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 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
KMT2A Q03164 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
PDE4D Q08499 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
SCHEMBL7012602 0.85 MAPT (0.49) MAPTTP53THRBSMN1; SMN2BRAF
SCHEMBL7013060 0.85 MAPT (0.49) MAPTTP53THRBSMN1; SMN2BRAF
Hydrochloric Acid SCHEMBL7014137 0.84 MAPT (0.49) MAPTTP53THRBSMN1; SMN2BRAF
SCHEMBL7008283 0.81 MAPT (0.51) MAPTTP53THRBSMN1; SMN2BRAF
SCHEMBL7011226 0.80 MAPT (0.48) MAPTTP53THRBSMN1; SMN2BRAF
SCHEMBL7012063 0.80 TP53 (0.41) MAPTTP53SMN1; SMN2KDM4EMEN1
SCHEMBL7660377 0.79 MAPT (0.52) MAPTTP53THRBSMN1; SMN2BRAF
SCHEMBL7661476 0.75 MAPT (0.48) MAPTTP53THRBSMN1; SMN2BRAF
SCHEMBL7007201 0.75 MAPT (0.44) MAPTTP53THRBSMN1; SMN2BRAF
SCHEMBL7649851 0.75 MAPT (0.49) MAPTTP53THRBSMN1; SMN2BRAF

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 2 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-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP disclosed