SCHEMBL9749986

SCHEMBL9749986

CC(=O)Nc1cnc(SCC(=O)O)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
GAA P10253 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
STK17B O94768 2/20 0.41
MAP3K8 P41279 1/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.40
CCNE2 O96020 5/20 0.39
CCNE1 P24864 5/20 0.39
CDK2 P24941 5/20 0.39
CCNB2 O95067 3/20 0.39
CDK1 P06493 3/20 0.39
CDK4 P11802 3/20 0.39
CCNB1 P14635 3/20 0.39
CCND1 P24385 3/20 0.39
CCNB3 Q8WWL7 3/20 0.39
HSD11B1 P28845 1/20 0.39
RAB9A P51151 2/20 0.38

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
SCHEMBL10878953 0.80 ALOX15 (0.48) GAAL3MBTL1ALOX15HSD17B10PKM
SCHEMBL9749393 0.80 SMN1; SMN2 (0.40) GAAL3MBTL1HSD17B10HPGDRAB9A
SCHEMBL2666164 0.73 CCNE1 (0.69) GAACCNE2CCNE1CDK2CCNB2
SCHEMBL9748847 0.71 L3MBTL1 (0.45) GAAL3MBTL1MAP3K8HSD17B10HPGD
SCHEMBL15577212 0.70 ALOX15 (0.52) GAAL3MBTL1ALOX15HSD17B10PKM
SCHEMBL18529269 0.68 GAA (0.50) GAAL3MBTL1ALOX15HSD17B10PKM
SCHEMBL10692730 0.68 ALOX15 (0.50) GAAL3MBTL1ALOX15HSD17B10PKM
SCHEMBL10361186 0.66 SMN1; SMN2 (0.42) HSD17B10RAB9APOLB
SCHEMBL8436040 0.65 GAA (0.74) GAAL3MBTL1HSD17B10HPGDPOLB
SCHEMBL11370831 0.64 CA2 (0.53) GAAALOX15HSD17B10PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0194572-B1 HETEROCYCLIC SULFIDES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-02 EP disclosed
US-4762848-A IMMUNE SYSTEM STIMULANTS, CYTOSTATIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed
EP-0194572-A1 Heterocyclic sulfides, process for their preparation and Medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-17 EP disclosed