SCHEMBL10508972

SCHEMBL10508972

CC1Sc2cc(Cl)ccc2N(CC(=O)O)C1=S

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PTGDR2 Q9Y5Y4 15/20 0.39
▸ AKR1B1 P15121 1/20 0.35
▸ MAPT P10636 1/20 0.34

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
SCHEMBL10511031 0.90 ALOX15 (0.44) ALOX15HSD17B10PTGDR2MAPT
SCHEMBL10511806 0.86 ALOX15 (0.50) ALOX15HSD17B10PTGDR2AKR1B1
SCHEMBL10652713 0.84 LMNA (0.49) MAPT
SCHEMBL10511834 0.81 MEN1 (0.43) AKR1B1MAPT
SCHEMBL10509370 0.77 TP53 (0.36) ALOX15HSD17B10PTGDR2AKR1B1
SCHEMBL10507148 0.75 ALOX15 (0.53) ALOX15HSD17B10PTGDR2MAPT
SCHEMBL10648782 0.75 LMNA (0.57) MAPT
SCHEMBL10509886 0.74 HSD17B3 (0.44) ALOX15HSD17B10PTGDR2
SCHEMBL4328088 0.72 NPY5R (0.51) PTGDR2
SCHEMBL10508894 0.72 ALOX15 (0.41) ALOX15HSD17B10PTGDR2MAPT

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
EP-0162776-B1 HETEROCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS USEFUL AS ALDOSE REDUCTASE INHIBITORS CONTAINING THEM LABORATOIRES UPSA (FR) 1989-04-19 — — EP disclosed
US-4755509-A Heterocyclic aldose reductase inhibitors and methods of using them Carbipem (FR) 1988-07-05 — — US disclosed
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