SCHEMBL17826982

SCHEMBL17826982

CCc1ccc(-c2ccc(OC)cc2)nn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
KDM4E B2RXH2 5/20 0.56
PKM P14618 3/20 0.56
MCHR1 Q99705 4/20 0.48
CHRM1 P11229 3/20 0.48
HTR2A P28223 3/20 0.48
HRH2 P25021 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
ALDH1A1 P00352 5/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 1/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL24046966 0.79 SMN1; SMN2 (0.56) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL17826975 0.79 NAAA (0.39) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4592220 0.79 MCHR1 (0.55) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17826979 0.78 SMN1; SMN2 (0.43) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17826983 0.78 NPC1 (0.47) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL17184615 0.78 KEAP1 (0.40) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17184668 0.78 NPC1 (0.39) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4591645 0.78 MCHR1 (0.48) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9629460 0.77 MAPT (0.59) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL25591566 0.77 MAPT (0.62) MAPTNPC1RAB9ASMN1; SMN2KDM4E

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-2379535-B1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2016-06-15 EP disclosed