SCHEMBL25873159

SCHEMBL25873159

Cc1c(N=C=O)cccc1-c1ccc(C(C)(C)c2ccc(-c3cccc(OC#N)c3C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL25873157 0.90 CYP3A4 (0.31) CYP3A4
SCHEMBL22966264 0.87 CYP3A4 (0.56) CYP3A4ALDH1A1HPGDTDP1
SCHEMBL22966265 0.87 KIF11 (0.34) ALDH1A1
SCHEMBL22966409 0.82 PPARG (0.32)
SCHEMBL22966408 0.82 CYP3A4 (0.50) CYP3A4ALDH1A1HPGDTDP1
SCHEMBL34824 0.80 CYP3A4 (0.61) CYP3A4ALDH1A1HPGDTDP1
SCHEMBL25873154 0.79 PGR (0.31) CYP3A4
SCHEMBL22966420 0.74 AR (0.38) CYP3A4ALDH1A1
SCHEMBL22966421 0.74 CYP3A4 (0.43) CYP3A4ALDH1A1HPGDTDP1
SCHEMBL15086053 0.72 CYP3A4 (0.54) CYP3A4ALDH1A1HPGDTDP1

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-20240016699-A1 PHARMACEUTICAL PACKAGES WITH COATINGS COMPRISING POLYCYANURATES CORNING INC (US) 2024-01-18 US disclosed
US-11707411-B2 Pharmaceutical packages with coatings comprising polycyanurates CORNING INCORPORATED (US) 2023-07-25 US disclosed