SCHEMBL10470169

SCHEMBL10470169

CCOc1ccc(OCC(F)(F)F)cc1C(=O)NCc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.58
▸ KDM4E B2RXH2 1/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ HTT P42858 2/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ SORT1 Q99523 1/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ ADORA2A P29274 1/20 0.52
▸ ADORA1 P30542 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.51
▸ MEN1 O00255 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ XBP1 P17861 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49

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
SCHEMBL10469568 0.96 ALDH1A1 (0.58) RAB9AALDH1A1KDM4ECYP2C9CYP1A2
SCHEMBL31390541 0.94 ALDH1A1 (0.63) RAB9AALDH1A1KDM4ECYP2C9CYP1A2
SCHEMBL1433337 0.94 ALDH1A1 (0.63) RAB9AALDH1A1KDM4ECYP2C9CYP1A2
SCHEMBL10467928 0.91 ALDH1A1 (0.53) RAB9AALDH1A1KDM4ECYP2C9CYP1A2
SCHEMBL10469524 0.90 HPGD (0.61) RAB9AALDH1A1KDM4ECYP2C9CYP1A2
SCHEMBL10469507 0.90 ALDH1A1 (0.56) RAB9AALDH1A1KDM4ECYP2C9CYP1A2
SCHEMBL10469211 0.89 ALDH1A1 (0.55) RAB9AALDH1A1KDM4ECYP2C9CYP1A2
SCHEMBL10468212 0.89 ALDH1A1 (0.53) RAB9AALDH1A1KDM4ECYP2C9CYP1A2
SCHEMBL10470174 0.88 KMT2A (0.68) RAB9AALDH1A1KDM4ECYP2C9CYP1A2
SCHEMBL10469519 0.88 ALDH1A1 (0.56) RAB9AALDH1A1KDM4ECYP2C9CYP1A2

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-4952574-A Antiarrhythmic substituted N-(2-piperidylmethyl)benzamides RIKER LABORATORIES, INC. (US) 1990-08-28 — — US disclosed
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