SCHEMBL29664620

SCHEMBL29664620

Cc1cc(N=C=O)cc(SSc2cc(C)cc(N=C=O)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
TRPA1 O75762 1/20 0.40
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 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
SCHEMBL740126 1.00 CYP3A4 (0.40) CYP3A4TRPA1MAPK1TDP1TSHR
SCHEMBL2889976 0.88 TRPA1 (0.35) CYP3A4TRPA1MAPK1TDP1
SCHEMBL27871254 0.85 CYP3A4 (0.38) CYP3A4TRPA1MAPK1TDP1TSHR
SCHEMBL59852 0.83 CYP3A4 (0.48) CYP3A4TRPA1MAPK1TDP1TSHR
SCHEMBL109084 0.83 CYP3A4 (0.48) CYP3A4TRPA1MAPK1TDP1TSHR
Benzene SCHEMBL28982643 0.79 CYP3A4 (0.45) CYP3A4TRPA1MAPK1TDP1TSHR
SCHEMBL7002811 0.77 CYP3A4 (0.44) CYP3A4TRPA1MAPK1TDP1TSHR
SCHEMBL4240933 0.73 CYP3A4 (0.41) CYP3A4TRPA1MAPK1TDP1TSHR
SCHEMBL5444503 0.73 MAPK1 (0.44) CYP3A4TRPA1MAPK1TDP1TSHR
SCHEMBL13768440 0.71 CYP3A4 (0.39) CYP3A4TRPA1MAPK1TDP1TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4396248-A1 AQUEOUS POLYURETHANE-UREA DISPERSION Covestro Deutschland AG (DE) 2024-07-10 EP disclosed
EP-4259683-A1 AQUEOUS POLYURETHANE UREA DISPERSION Covestro Deutschland AG (DE) 2023-10-18 EP disclosed
WO-2023031029-A1 AQUEOUS POLYURETHANE-UREA DISPERSION COVESTRO DEUTSCHLAND AG (DE) 2023-03-09 WO disclosed
WO-2022122567-A1 AQUEOUS POLYURETHANE UREA DISPERSION COVESTRO DEUTSCHLAND AG (DE) 2022-06-16 WO disclosed