SCHEMBL25873139

SCHEMBL25873139

N#COc1ccc(OC(=O)c2ccc(N=C=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 12/20 0.49
F2 P00734 4/20 0.49
PRSS2 P07478 4/20 0.49
PRSS3 P35030 4/20 0.49
HGFAC Q04756 2/20 0.46
ACR P10323 10/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HIF1A Q16665 1/20 0.43
TMPRSS15 P98073 1/20 0.42
PLG P00747 1/20 0.41
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1404357 0.89 PRSS1 (0.59) PRSS1F2PRSS2PRSS3HGFAC
SCHEMBL8945764 0.89 PRSS1 (0.59) PRSS1F2PRSS2PRSS3HGFAC
SCHEMBL9777755 0.89 PRSS1 (0.59) PRSS1F2PRSS2PRSS3HGFAC
SCHEMBL17576542 0.86 CYP3A4 (0.38) PRSS1F2PRSS2PRSS3ALDH1A1
SCHEMBL8945658 0.86 HSD17B10 (0.52) PRSS1F2PRSS2PRSS3HGFAC
SCHEMBL8625083 0.86 HSD17B10 (0.52) PRSS1F2PRSS2PRSS3HGFAC
SCHEMBL34741 0.84 CYP3A4 (0.47) CYP1A2
SCHEMBL25873146 0.82 SRD5A2 (0.41) ALDH1A1
SCHEMBL25873149 0.82 SRD5A2 (0.41) ALDH1A1
SCHEMBL15726604 0.82 KMT2A (0.44) PRSS1PRSS2PRSS3ALDH1A1CYP1A2

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