SCHEMBL6770539

SCHEMBL6770539

CC(C)C1CC(=O)c2c(C(C)(C)C)nn(-c3cccc(Cl)c3)c2C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.39
DHODH Q02127 1/20 0.38
TRPV1 Q8NER1 2/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PRKCZ Q05513 2/20 0.36
ALDH1A1 P00352 2/20 0.36
OPRM1 P35372 1/20 0.36
HPGD P15428 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SLC5A1 P13866 1/20 0.35
HSP90AA1 P07900 1/20 0.34
GFER P55789 1/20 0.33

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
SCHEMBL6164978 0.88 DHODH (0.41) DHODHMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6766674 0.87 RIPK2 (0.46) SRCDHODHMEN1KMT2ASMN1; SMN2
SCHEMBL6769819 0.85 OPRM1 (0.43) SRCDHODHMEN1KMT2ASMN1; SMN2
SCHEMBL6770768 0.85 SRC (0.41) SRCMEN1KMT2ASMN1; SMN2PRKCZ
SCHEMBL6767259 0.84 SRC (0.40) SRCDHODHMEN1KMT2ASMN1; SMN2
SCHEMBL6772419 0.84 SRC (0.39) SRCDHODHTRPV1MEN1KMT2A
SCHEMBL6770751 0.83 OPRM1 (0.45) SRCDHODHMEN1KMT2ASMN1; SMN2
SCHEMBL7490727 0.83 L3MBTL1 (0.36) DHODHKMT2ASMN1; SMN2ALDH1A1OPRM1
SCHEMBL6770749 0.83 SRC (0.35) SRCDHODHTRPV1MEN1KMT2A
SCHEMBL6777392 0.81 DHODH (0.36) DHODH

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