SCHEMBL9970796

SCHEMBL9970796

CCc1ccc(NC)c2c(C)c(C)n(CCO)c12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL9964976 0.80 RAB9A (0.34) RAB9AKMT2ANPC1ALDH1A1LMNA
SCHEMBL9974698 0.77 RAB9A (0.37) RAB9AKMT2ANPC1
SCHEMBL9964967 0.70 PIM1 (0.30)
SCHEMBL17364544 0.64 KDM4E (0.37) KMT2AALDH1A1
SCHEMBL9964965 0.59 RAB9A (0.33) RAB9AKMT2ANPC1
SCHEMBL9965025 0.59 ALDH1A1 (0.33) KMT2AALDH1A1
SCHEMBL9964956 0.57 RAB9A (0.36) RAB9AKMT2ANPC1
SCHEMBL20375304 0.56 PKM (0.33) CYP3A4CYP2C9CYP2C19
SCHEMBL19993050 0.56 GABRA1 (0.43) RAB9AALDH1A1HSD17B10CYP3A4CYP2D6
SCHEMBL16867407 0.56 CYP1A2 (0.43) KMT2AALDH1A1LMNACYP2C9CYP2C19

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-2012080285-A2 DYE COMPOSITION COMPRISING A SECONDARY PARA-PHENYLENEDIAMINE OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'OREAL (FR) 2012-06-21 WO disclosed