SCHEMBL9788686

SCHEMBL9788686

Cc1ccc(-c2cc(C(F)(F)F)cn3ccnc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.46
CYP1A2 P05177 3/20 0.40
METAP2 P50579 1/20 0.40
IDO1 P14902 1/20 0.40
GRM5 P41594 1/20 0.40
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SPTLC1 O15269 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NFKB1 P19838 3/20 0.36
NFKB2 Q00653 3/20 0.36
RELA Q04206 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL15828627 0.74 TNKS (0.45) TNKSGRM5L3MBTL1SPTLC1LMNA
SCHEMBL454081 0.74 SPTLC1 (0.53) TNKSMAPTL3MBTL1SPTLC1HDAC6
SCHEMBL1349074 0.73 L3MBTL1 (0.49) TNKSCYP1A2METAP2L3MBTL1HDAC6
SCHEMBL30256773 0.72 GRM5 (0.43) TNKSCYP1A2METAP2GRM5NPC1
SCHEMBL12241175 0.72 SCN10A (0.44) MCHR1RAF1BRAF
SCHEMBL20125121 0.72 ACKR3 (0.43) TNKSNPC1RAB9AMAPTL3MBTL1
SCHEMBL1346286 0.71 MCHR1 (0.44) TNKSCYP1A2METAP2GRM5NPC1
SCHEMBL3340580 0.71 SMN1; SMN2 (0.49) CYP1A2GRM5NPC1RAB9ACYP3A4
SCHEMBL1431759 0.71 TNKS (0.47) TNKSNPC1RAB9ANFKB1NFKB2
SCHEMBL1346289 0.70 MCHR1 (0.45) TNKSCYP1A2METAP2GRM5HDAC6

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-4990506-A Sedatives, anxiolytic, antiulcer, antistress SYNTHELABO (FR) 1991-02-05 US disclosed