SCHEMBL25873154

SCHEMBL25873154

CC(C)(c1ccc(N=C=O)cc1)c1ccc(-c2ccccc2OC#N)cc1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.31
AR P10275 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
PTPN5 P54829 1/20 0.30
ERN1 O75460 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
SCHEMBL25873157 0.89 CYP3A4 (0.31) CYP3A4
SCHEMBL22966420 0.87 AR (0.38) PGRARCYP3A4PTPN5
SCHEMBL22966272 0.81 AR (0.36) PGRARCYP3A4TSHRPTPN5
SCHEMBL25873163 0.80 CYP3A4 (0.34) CYP3A4TSHRPTPN5
SCHEMBL25873160 0.80 CYP3A4 (0.34) CYP3A4TSHRPTPN5
SCHEMBL25873159 0.79 CYP3A4 (0.42) CYP3A4
SCHEMBL22966275 0.79 CYP3A4 (0.39) CYP3A4TSHR
SCHEMBL12908787 0.78 TSHR (0.37) CYP3A4TSHR
SCHEMBL22966434 0.76 CYP3A4 (0.45) ARCYP3A4TSHR
SCHEMBL22966365 0.76 CYP3A4 (0.45) ARCYP3A4TSHR

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