SCHEMBL9840376

SCHEMBL9840376

S=C=NCCc1ccc(N=C=S)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.73
MIF P14174 12/20 0.63
TRPA1 O75762 2/20 0.62
CYP2E1 P05181 1/20 0.62
CYP2A6 P11509 1/20 0.62
HIF1A Q16665 1/20 0.62
CYP2A13 Q16696 1/20 0.62
EPAS1 Q99814 1/20 0.62
NAAA Q02083 4/20 0.46
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL332410 0.87 MIF (0.79) P2RY6MIFTRPA1CYP2E1CYP2A6
SCHEMBL9547715 0.85 P2RY6 (1.00) P2RY6MIFTRPA1CYP2E1CYP2A6
SCHEMBL1853024 0.85 P2RY6 (1.00) P2RY6MIFTRPA1CYP2E1CYP2A6
SCHEMBL10729682 0.82 P2RY6 (0.70) P2RY6MIFTRPA1CYP2E1CYP2A6
SCHEMBL8763660 0.81 MIF (0.70) P2RY6MIFTRPA1CYP2E1CYP2A6
SCHEMBL17050033 0.80 MIF (0.52) P2RY6MIFTRPA1CYP2E1CYP2A6
SCHEMBL25422578 0.79 P2RY6 (0.66) P2RY6MIFTRPA1CYP2E1CYP2A6
SCHEMBL347652 0.79 P2RY6 (0.79) P2RY6MIFTRPA1CYP2E1CYP2A6
SCHEMBL13623261 0.79 P2RY6 (0.65) P2RY6MIFTRPA1CYP2E1CYP2A6
SCHEMBL2947970 0.78 MIF (1.00) MIFTRPA1CYP2E1CYP2A6HIF1A

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-5011861-A Containing functional groups capable of bonding peptides and proteins MILLIPORE CORPORATION (US) 1991-04-30 US disclosed
EP-0353460-A2 Membranes for solid phase protein sequencing MILLIPORE CORPORATION (US) 1990-02-07 EP disclosed