SCHEMBL18912340

SCHEMBL18912340

C=C1NC(=O)c2ccsc2-c2sc(C)cc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PTPRC P08575 1/20 0.31

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
SCHEMBL19296415 0.77 CES1 (0.33) CES1
SCHEMBL2618057 0.77 CES1 (0.47) CES1MEN1ALDH1A1HPGDKMT2A
SCHEMBL18269884 0.73 CES1 (0.38) CES1MEN1ALDH1A1HPGDKMT2A
SCHEMBL17179159 0.70 CES1 (0.38) CES1
SCHEMBL17179158 0.70 CES1 (0.33) CES1PTPRC
SCHEMBL14294033 0.70 CES1 (0.52) CES1MEN1ALDH1A1HPGDKMT2A
SCHEMBL14294471 0.69 CES1 (0.50) CES1MEN1ALDH1A1HPGDKMT2A
SCHEMBL5386186 0.66 CES1 (0.54) CES1MEN1ALDH1A1HPGDKMT2A
SCHEMBL13470065 0.64 PTGS2 (0.40) MEN1ALDH1A1HPGDKMT2ANPSR1
SCHEMBL10100082 0.64 PTGS2 (0.40) MEN1ALDH1A1HPGDKMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170155053-A1 Molecular and Polymeric Semiconductors and Related Devices USINVEST LLC 2017-06-01 — — US disclosed
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