SCHEMBL10691181

SCHEMBL10691181

O=C(O)c1ncsc1SCc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPRG P23470 1/20 0.51
HTT P42858 2/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RHEB Q15382 1/20 0.41
HIF1A Q16665 1/20 0.41
ABL1 P00519 1/20 0.40
SRC P12931 1/20 0.40
DAO P14920 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL9750280 0.80 PTPRG (0.45) PTPRGHTTMEN1KMT2AALDH1A1
SCHEMBL10685904 0.74 APEX1 (0.43) ALDH1A1TDP1L3MBTL1MAPK1MAPT
SCHEMBL9748006 0.73 KDM4E (0.42) ALDH1A1TDP1L3MBTL1MAPK1DAO
SCHEMBL10688331 0.73 CYP1A2 (0.43) KMT2AALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL9368410 0.72 L3MBTL1 (0.52) HTTMEN1KMT2AALDH1A1TDP1
Hydrochloric Acid SCHEMBL16593684 0.72 KDM4E (0.41) ALDH1A1TDP1L3MBTL1MAPK1DAO
SCHEMBL10692166 0.72 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10360145 0.70 KDM4E (0.48) ALDH1A1TDP1L3MBTL1MAPTCYP1A2
SCHEMBL21312761 0.69 PTPRG (0.45) PTPRGHTTMEN1KMT2AALDH1A1
SCHEMBL9852499 0.69 KMT2A (0.40) MEN1KMT2AALDH1A1TDP1MAPK1

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