SCHEMBL6766708

SCHEMBL6766708

COc1cccc(-n2nc(C(C)(C)C)c3c2CC(C)CC3=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.48
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALPG P10696 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 3/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
SRC P12931 1/20 0.37
SLC16A3 O15427 1/20 0.37

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
SCHEMBL6770768 0.86 SRC (0.41) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6772063 0.86 OPRM1 (0.48) MAPTNPSR1SMN1; SMN2RAB9AHTT
SCHEMBL6766674 0.86 RIPK2 (0.46) RIPK2MAPTHPGDALDH1A1NPSR1
SCHEMBL6164677 0.85 ABCG2 (0.41) MAPTHPGDALDH1A1MAPK13MAPK12
SCHEMBL6772323 0.83 GPBAR1 (0.41) MAPTHPGDALDH1A1NPSR1SMN1; SMN2
SCHEMBL6775862 0.82 ABCG2 (0.39) MAPTHPGDALDH1A1NPSR1SMN1; SMN2
SCHEMBL6771869 0.82 RIPK2 (0.50) RIPK2MAPTHPGDALDH1A1NPSR1
SCHEMBL6772144 0.81 RIPK2 (0.36) RIPK2MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL6766537 0.81 ALDH1A1 (0.41) MAPTHPGDALDH1A1NPSR1SMN1; SMN2
SCHEMBL6767112 0.80 OPRM1 (0.58) RIPK2SRCOPRM1

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 3 patents. 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
EP-1177185-A1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2002-02-06 EP disclosed
WO-2000069846-A1 4,5,6,7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-11-23 WO disclosed