SCHEMBL7409508

SCHEMBL7409508

COc1ccccc1C(CN)c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.51
IDO1 P14902 3/20 0.49
TDO2 P48775 3/20 0.49
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ACP3 P15309 2/20 0.42
TACR1 P25103 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
SOS1 Q07889 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KRAS P01116 1/20 0.40

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
SCHEMBL7412490 0.89 TACR1 (0.46) PNMTIDO1TDO2TACR1AKR1C3
SCHEMBL2086020 0.81 IDO1 (0.56) IDO1TDO2L3MBTL1
SCHEMBL21495213 0.81 IDO1 (0.56) IDO1TDO2L3MBTL1
SCHEMBL9311628 0.75 PNMT (0.61) PNMTIDO1TDO2SLC6A2SLC6A4
SCHEMBL14387383 0.75 SLC6A2 (0.48) IDO1TDO2SLC6A2SLC6A4
SCHEMBL3914167 0.74 PNMT (0.59) PNMTIDO1TDO2SLC6A2SLC6A4
SCHEMBL6000918 0.71 PNMT (0.60) PNMTIDO1TDO2SLC6A2SLC6A4
SCHEMBL12086050 0.71 IDO1 (0.53) PNMTIDO1TDO2SLC6A2SLC6A4
SCHEMBL24779826 0.71 PNMT (0.65) PNMTIDO1TDO2SLC6A4ACP3
SCHEMBL4617152 0.71 PNMT (0.65) PNMTIDO1TDO2SLC6A4ACP3

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
WO-1988003147-A1 SELECTED N6-SUBSTITUTED ADENOSINES HAVING SELECTIVE A2 BINDING ACTIVITY WARNER-LAMBERT COMPANY (US) 1988-05-05 WO disclosed