SCHEMBL17657441

SCHEMBL17657441

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(-c3ccc(-c4ccc(C)s4)s3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.37
▸ PRF1 P14222 12/20 0.35
▸ DRD2 P14416 2/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ CTSC P53634 1/20 0.32
▸ CASP3 P42574 1/20 0.31
▸ PDE5A O76074 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
SCHEMBL17657444 0.97 PGR (0.39) PGRPRF1DRD2HTR2AHTR2C
SCHEMBL17657416 0.97 PGR (0.39) PGRPRF1DRD2HTR2AHTR2C
SCHEMBL17657410 0.95 PGR (0.40) PGRPRF1DRD2HTR2AHTR2C
SCHEMBL17657440 0.89 PRF1 (0.36) PGRPRF1
SCHEMBL17657381 0.87 PGR (0.37) PGRPRF1CTSC
SCHEMBL17657449 0.86 PGR (0.36) PGRPRF1DRD2HTR2AHTR2C
SCHEMBL17657415 0.84 PGR (0.38) PGRPRF1CTSC
SCHEMBL17657451 0.82 CASP3 (0.31) CASP3
SCHEMBL17657426 0.79 CASP3 (0.32) CASP3
SCHEMBL16546141 0.78 CASP3 (0.46) CASP3

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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