SCHEMBL9035936

SCHEMBL9035936

CCOC(=O)Cc1sc(Sc2ncccc2C(=O)O)nc1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
GAA P10253 3/20 0.46
EGLN1 Q9GZT9 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
PKM P14618 1/20 0.41
CYP2C9 P11712 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL8544938 0.91 ALDH1A1 (0.46) ALDH1A1GAATRPM8L3MBTL1TP53
SCHEMBL8543496 0.89 TRPM8 (0.39) ALDH1A1SMN1; SMN2GAAEGLN1TRPM8
SCHEMBL8546712 0.89 L3MBTL1 (0.45) ALDH1A1SMN1; SMN2TRPM8L3MBTL1TP53
SCHEMBL8550241 0.89 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2GAAEGLN1L3MBTL1
SCHEMBL8543410 0.87 TRPM8 (0.42) ALDH1A1SMN1; SMN2TRPM8TP53KDM4E
SCHEMBL8551330 0.83 TRPM8 (0.39) ALDH1A1TRPM8TP53KDM4EHTT
SCHEMBL8545588 0.83 TRPM8 (0.41) ALDH1A1SMN1; SMN2GAATRPM8L3MBTL1
SCHEMBL8549346 0.81 LMNA (0.53) ALDH1A1SMN1; SMN2TRPM8L3MBTL1TP53
SCHEMBL8545401 0.80 TRPM8 (0.40) ALDH1A1SMN1; SMN2GAATRPM8KDM4E
SCHEMBL8546335 0.79 HSD17B10 (0.44) ALDH1A1TRPM8L3MBTL1TP53KDM4E

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-0714393-A1 THIAZOLES AS ANTIVIRAL PFIZER INC. (US) 1996-06-05 EP disclosed
WO-1995005378-A1 ANTIVIRAL THIAZOLES PFIZER INC. (US) 1995-02-23 WO disclosed