SCHEMBL9667136

SCHEMBL9667136

Cc1ccnc(SCC(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.53
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.45
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.43
PRNP P04156 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
LMNA P02545 1/20 0.42
GRK6 P43250 2/20 0.42

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
SCHEMBL10672832 0.81 LMNA (0.67) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL16137360 0.76 UHRF1 (0.46) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL16123281 0.74 UHRF1 (0.45) ALOX15KDM4EALDH1A1MEN1KMT2A
SCHEMBL10525630 0.73 ALDH1A1 (0.46) ALOX15KDM4EALDH1A1MEN1KMT2A
SCHEMBL437152 0.73 ALDH1A1 (0.69) ALOX15KDM4EALDH1A1MEN1KMT2A
SCHEMBL15948525 0.73 UHRF1 (0.43) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL12796841 0.73 NOS2 (0.45) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL29987569 0.73 ALDH1A1 (0.69) ALOX15KDM4EALDH1A1MEN1KMT2A
SCHEMBL1828420 0.72 HSD17B10 (0.50) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL11840158 0.72 ALOX15 (0.57) ALOX15KDM4EALDH1A1MEN1KMT2A

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-0234980-B1 2-BENZIMIDAZOLYLALKYLTHIO (OR SULFINYL OR SULFONYL) DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1992-09-16 EP disclosed
EP-0234980-A1 2-Benzimidazolylalkylthio (or sulfinyl or sulfonyl) derivatives, their preparation and their use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1987-09-02 EP disclosed