SCHEMBL6164039

SCHEMBL6164039

CN(C)c1ccc(-c2nn(-c3nc4ccccc4s3)c3c2C(=O)CC(C)(C)C3C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.40
RAB9A P51151 6/20 0.37
NPC1 O15118 5/20 0.37
MAPT P10636 5/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 2/20 0.37
TP53 P04637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
KDM4E B2RXH2 1/20 0.35
SLC11A2 P49281 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
CRBN Q96SW2 3/20 0.34
INSR P06213 2/20 0.33
GAA P10253 2/20 0.33
NCOA1 Q15788 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
SCHEMBL6164948 0.91 MAPT (0.45) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL6163676 0.89 ALDH1A1 (0.39) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL6166806 0.87 APP (0.39) APPRAB9ANPC1MAPTALDH1A1
SCHEMBL6166322 0.83 LMNA (0.41) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL6167422 0.83 NPSR1 (0.36) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL6166442 0.83 ALDH1A1 (0.36) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL6164786 0.83 RAB9A (0.36) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL6163661 0.83 RAB9A (0.41) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL6163663 0.83 ALDH1A1 (0.35) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL6164537 0.82 PDE10A (0.48) RAB9ANPC1MAPTALDH1A1SMN1; 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 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