SCHEMBL6770366

SCHEMBL6770366

COc1cccc(-n2nc(C)c3c2CCCC3=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.56
OPRM1 P35372 2/20 0.52
BRD4 O60885 1/20 0.47
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
CA1 P00915 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
ALOX5 P09917 1/20 0.44
HTT P42858 3/20 0.43
CYP1A2 P05177 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL6771869 0.87 RIPK2 (0.50) SRCOPRM1BRD4RAB9ASMN1; SMN2
SCHEMBL6772956 0.87 SRC (0.49) SRCOPRM1BRD4RAB9ASMN1; SMN2
SCHEMBL6771294 0.87 SRC (0.49) SRCOPRM1BRD4RAB9ASMN1; SMN2
SCHEMBL6769828 0.85 OPRM1 (0.67) SRCOPRM1SMN1; SMN2KDM4EALDH1A1
SCHEMBL6777584 0.85 ALDH1A1 (0.53) SRCBRD4RAB9ASMN1; SMN2L3MBTL1
SCHEMBL6769419 0.84 SRC (0.47) SRCOPRM1BRD4RAB9ASMN1; SMN2
SCHEMBL6162529 0.83 OPRM1 (0.56) SRCOPRM1RAB9ASMN1; SMN2KDM4E
SCHEMBL6772954 0.81 OPRM1 (0.78) OPRM1
SCHEMBL6772063 0.81 OPRM1 (0.48) SRCOPRM1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL6778055 0.79 SRC (0.43) SRCOPRM1BRD4RAB9ASMN1; SMN2

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-6716856-B1 CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA & TUBJOHN SPA (IT) 2004-04-06 US disclosed