SCHEMBL11050489

SCHEMBL11050489

COc1ccc(NC(=O)c2cc3ccccc3nc2C)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
MAPT P10636 1/20 0.66
NPC1 O15118 4/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
CASP3 P42574 2/20 0.66
SENP7 Q9BQF6 2/20 0.66
SENP6 Q9GZR1 1/20 0.66
CYP3A4 P08684 2/20 0.59
MAOB P27338 1/20 0.58
AHR P35869 2/20 0.57
POLB P06746 2/20 0.57
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.55
ADORA3 P0DMS8 1/20 0.55

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
SCHEMBL29644384 0.80 NPC1 (1.00) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL2048865 0.80 NPC1 (1.00) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL15945345 0.77 MAPT (0.55) RAB9ASMN1; SMN2MAPTNPC1MEN1
SCHEMBL25256045 0.77 RAB9A (0.51) RAB9ASMN1; SMN2MAPTNPC1MEN1
SCHEMBL29508633 0.77 RAB9A (0.51) RAB9ASMN1; SMN2MAPTNPC1MEN1
SCHEMBL30201832 0.76 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2MAPTNPC1MEN1
Methyl Alcohol SCHEMBL11080000 0.76 NPC1 (0.66) RAB9ASMN1; SMN2MAPTNPC1MEN1
SCHEMBL11083265 0.76 ADORA3 (0.63) RAB9ASMN1; SMN2MAPTNPC1MEN1
SCHEMBL1352961 0.75 KDM4E (0.51) RAB9ASMN1; SMN2MAPTNPC1MEN1
SCHEMBL10062017 0.75 NPC1 (1.00) RAB9ASMN1; SMN2NPC1MEN1KMT2A

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
EP-0070767-B1 QUINOLINE DERIVATIVES, THEIR SALTS, THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1985-04-10 EP disclosed