SCHEMBL11248462

SCHEMBL11248462

CC(CSC(=O)c1ccccc1)C(=O)N1C(c2ccncc2)SC[C@H]1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.49
▸ ACE P12821 1/20 0.49
▸ FFAR2 O15552 4/20 0.43
▸ POLB P06746 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL11110226 0.93 ACE (0.53) KMT2AACEFFAR2POLBGAA
SCHEMBL11234749 0.89 ACE (0.47) KMT2AACEFFAR2HSD17B10ALDH1A1
SCHEMBL11068373 0.89 KMT2A (0.50) KMT2AACEFFAR2POLBGAA
SCHEMBL11474215 0.89 POLB (0.47) ACEFFAR2POLBGAARAB9A
SCHEMBL11474221 0.89 POLB (0.47) ACEFFAR2POLBGAARAB9A
SCHEMBL11474211 0.89 POLB (0.47) ACEFFAR2POLBGAARAB9A
SCHEMBL11184570 0.87 POLB (0.47) KMT2AFFAR2POLBGAARAB9A
SCHEMBL11092324 0.86 KMT2A (0.40) KMT2AACEFFAR2POLBGAA
SCHEMBL11065209 0.84 ACE (0.49) KMT2AACEFFAR2
SCHEMBL11169739 0.84 ACE (0.49) KMT2AACEFFAR2

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-4356183-A ENZYME INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-10-26 — — US claimed
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