SCHEMBL8136107

SCHEMBL8136107

N#C/C(C(=O)Nc1ccccc1)=C(/O)c1nn(-c2ccccc2)c2c1Cc1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ G6PD P11413 1/20 0.37
▸ CACNA1B Q00975 1/20 0.37
▸ APBA1 Q02410 1/20 0.37
▸ DHODH Q02127 3/20 0.37
▸ CCNA2 P20248 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CCNA1 P78396 2/20 0.36
▸ AURKA O14965 1/20 0.36
▸ PIK3CD O00329 4/20 0.35
▸ PIK3R2 O00459 4/20 0.35
▸ PIK3CA P42336 4/20 0.35
▸ PIK3CB P42338 4/20 0.35
▸ PIK3CG P48736 4/20 0.35
▸ PIK3R5 Q8WYR1 4/20 0.35
▸ PIK3R3 Q92569 4/20 0.35
▸ PTGER1 P34995 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL8136109 1.00 MEN1 (0.37) MEN1KMT2AG6PDCACNA1BAPBA1
SCHEMBL8135046 0.91 HDAC3 (0.44) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL8135044 0.91 HDAC3 (0.44) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL8136379 0.89 ALDH1A1 (0.40) MEN1KMT2APIK3CDPIK3R2PIK3CA
SCHEMBL8136382 0.89 ALDH1A1 (0.40) MEN1KMT2APIK3CDPIK3R2PIK3CA
SCHEMBL8141656 0.87 MAPT (0.41) MEN1KMT2AG6PDCACNA1BAPBA1
SCHEMBL8141659 0.87 MAPT (0.41) MEN1KMT2AG6PDCACNA1BAPBA1
SCHEMBL8135900 0.79 CCNA2 (0.37) MEN1KMT2ACCNA2CDK2CCNA1
SCHEMBL9174685 0.79 CCNA2 (0.40) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL9172754 0.77 PTGER1 (0.47) CCNA2CDK2CCNA1PIK3CDPIK3R2

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-1001940-A1 CONDENSED PYRAZOLE COMPOUNDS PHARMACIA & UPJOHN S.p.A. (IT) 2000-05-24 — — EP disclosed
WO-1999006374-A1 CONDENSED PYRAZOLE COMPOUNDS PHARMACIA & UPJOHN S.P.A. (IT) 1999-02-11 — — WO disclosed
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