SCHEMBL6162505

SCHEMBL6162505

CCCc1nn(C)c2c1C(=O)CC(C)(C)C2

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.67
ALDH1A1 P00352 4/20 0.57
NPSR1 Q6W5P4 2/20 0.57
KMT2A Q03164 1/20 0.57
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.43
OPRM1 P35372 5/20 0.41
HTT P42858 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
HSP90AB1 P08238 2/20 0.38
HSP90AA1 P07900 1/20 0.36
BUB1 O43683 1/20 0.36

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
SCHEMBL6162828 0.82 ALPL (0.63) ALPLALDH1A1NPSR1KMT2ALMNA
SCHEMBL6163402 0.81 ALPL (0.45) ALPLALDH1A1NPSR1KMT2ALMNA
SCHEMBL6163724 0.77 ALDH1A1 (0.65) ALPLALDH1A1NPSR1KMT2ALMNA
SCHEMBL6166168 0.76 OPRM1 (0.55) KMT2AHSD17B10OPRM1HTT
SCHEMBL6767582 0.75 ALDH1A1 (0.56) ALPLALDH1A1NPSR1KMT2ALMNA
SCHEMBL6165467 0.75 ALDH1A1 (0.45) ALPLALDH1A1NPSR1KMT2ALMNA
SCHEMBL6166030 0.74 ALPL (0.40) ALPLALDH1A1NPSR1KMT2ALMNA
SCHEMBL6772068 0.73 ALDH1A1 (0.57) ALPLALDH1A1NPSR1KMT2ALMNA
SCHEMBL6167358 0.73 ALDH1A1 (0.57) ALPLALDH1A1NPSR1KMT2ALMNA
SCHEMBL6166641 0.73 ALPL (0.40) ALPLALDH1A1NPSR1KMT2ALMNA

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 2 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