SCHEMBL17657451

SCHEMBL17657451

Cc1ccc2c(c1)N(C)C(=O)/C2=C1/C(=O)N(C)c2cc3c(cc21)N(C)C(=O)/C3=C1/C(=O)N(C)c2cc(-c3cc4sc(C)cc4s3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL17657426 0.98 CASP3 (0.32) CASP3MEN1ALDH1A1MAPTHPGD
SCHEMBL17657412 0.87 — —
SCHEMBL17657452 0.86 — —
SCHEMBL17657444 0.84 PGR (0.39) CASP3MEN1ALDH1A1MAPTHPGD
SCHEMBL17657441 0.82 PGR (0.37) CASP3
SCHEMBL17657410 0.81 PGR (0.40) CASP3MEN1ALDH1A1MAPTHPGD
SCHEMBL17657416 0.79 PGR (0.39) CASP3MEN1ALDH1A1MAPTHPGD
SCHEMBL17657440 0.78 PRF1 (0.36) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL16546141 0.77 CASP3 (0.46) CASP3MAPT
SCHEMBL17657415 0.72 PGR (0.38) MEN1ALDH1A1MAPTHPGDKMT2A

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
US-20170092865-A1 N-TYPE ORGANIC SEMICONDUCTOR FORMULATIONS AND DEVICES YUNING LI (CA) 2017-03-30 — — US disclosed
US-20160099412-A1 N-TYPE ORGANIC SEMICONDUCTOR FORMULATIONS AND DEVICES LI YUNING (CA) 2016-04-07 — — US disclosed
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