SCHEMBL10688331

SCHEMBL10688331

O=C(O)CSc1scnc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP3A4 P08684 1/20 0.43
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 1/20 0.39
FFAR1 O14842 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.36
NOTUM Q6P988 2/20 0.35
PHGDH O43175 1/20 0.35
PKM P14618 1/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL10685904 0.83 APEX1 (0.43) HSD17B10KDM4EALDH1A1GAAL3MBTL1
SCHEMBL9748006 0.82 KDM4E (0.42) HSD17B10KDM4EALDH1A1PKML3MBTL1
Hydrochloric Acid SCHEMBL16593684 0.81 KDM4E (0.41) HSD17B10KDM4EALDH1A1PKML3MBTL1
SCHEMBL10692166 0.80 ALDH1A1 (0.44) CYP1A2CYP2C19KDM4EALDH1A1PKM
SCHEMBL22550649 0.76 KDM4E (0.46) CYP3A4KDM4EALDH1A1ALOX15PKM
SCHEMBL9749314 0.75 HSD17B10 (0.40) CYP1A2CYP2C19HSD17B10CYP3A4KDM4E
SCHEMBL9852499 0.73 KMT2A (0.40) HSD17B10KDM4EKMT2AFFAR1ALDH1A1
SCHEMBL10691181 0.73 PTPRG (0.51) CYP1A2CYP2C19KMT2AALDH1A1L3MBTL1
SCHEMBL9627261 0.71 KDM4E (0.43) KDM4EKMT2AALDH1A1GAAL3MBTL1
SCHEMBL10688854 0.69 HSD17B10 (0.43) HSD17B10KDM4EKMT2AFFAR1ALDH1A1

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-4762848-A IMMUNE SYSTEM STIMULANTS, CYTOSTATIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed