SCHEMBL6166844

SCHEMBL6166844

CC1(C)CCc2c(c(Cc3cccs3)nn2CC(F)(F)F)C1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.35
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL6166255 0.84 PARP1 (0.35) PARP1MEN1ALDH1A1MAPTKMT2A
SCHEMBL6166778 0.83 TSHR (0.34)
SCHEMBL6165976 0.81 ADORA1 (0.38) PARP1MEN1ALDH1A1MAPTKMT2A
SCHEMBL7485860 0.80 PARP1 (0.35) PARP1MEN1ALDH1A1MAPTKMT2A
SCHEMBL6165619 0.75 CCNA2 (0.37) PARP1
SCHEMBL6164936 0.73 CDC7 (0.39) ALDH1A1
SCHEMBL6165367 0.73 EEF2K (0.32) MEN1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL6166714 0.72 LMNA (0.30) MAPT
SCHEMBL6164523 0.72
SCHEMBL6167441 0.71 HDAC9 (0.31)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177185-B1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-04-20 EP disclosed
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