SCHEMBL10955018

SCHEMBL10955018

Cc1ccc(C(CC(=O)Nc2ccc(C#N)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 7/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ FNTA P49354 3/20 0.52
▸ FNTB P49356 3/20 0.52
▸ POLB P06746 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ KCNA5 P22460 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ THRB P10828 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL10948798 0.88 SMN1; SMN2 (0.65) SMN1; SMN2FNTAFNTBPOLBLMNA
SCHEMBL10953780 0.86 LMNA (0.61) FNTAFNTBPOLBLMNAGAA
SCHEMBL10950957 0.85 LMNA (0.70) SMN1; SMN2FNTAFNTBPOLBLMNA
SCHEMBL25988742 0.84 POLB (0.72) RORCPOLBLMNAKCNA5THRB
SCHEMBL10954657 0.82 SMN1; SMN2 (0.66) SMN1; SMN2FNTAFNTBPOLBLMNA
SCHEMBL10953466 0.81 FNTA (0.65) SMN1; SMN2FNTAFNTBPOLBLMNA
SCHEMBL10952227 0.81 LMNA (0.72) SMN1; SMN2FNTAFNTBPOLBLMNA
SCHEMBL10952111 0.81 FNTA (0.65) SMN1; SMN2FNTAFNTBPOLBLMNA
SCHEMBL10950719 0.81 CA12 (0.58) SMN1; SMN2FNTAFNTBPOLBLMNA
SCHEMBL10953663 0.80 CA12 (0.57) SMN1; SMN2FNTAFNTBPOLBLMNA

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-4536346-A TREATMENT OF ATHEROSCLEROSIS AMERICAN CYANAMID COMPANY (US) 1985-08-20 — — US claimed
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