SCHEMBL8550241

SCHEMBL8550241

Cc1nc(Sc2ncccc2C(=O)O)sc1CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
GAA P10253 2/20 0.50
EGLN1 Q9GZT9 1/20 0.49
TP53 P04637 1/20 0.45
KDM4E B2RXH2 2/20 0.45
HTT P42858 1/20 0.45
PKM P14618 1/20 0.44
CYP2C9 P11712 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL9035936 0.89 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GAAEGLN1TP53
SCHEMBL8545303 0.87 KDM4E (0.43) ALDH1A1SMN1; SMN2GAAEGLN1KDM4E
SCHEMBL8545040 0.83 GABRP (0.39) ALDH1A1GAAKDM4E
SCHEMBL8548084 0.83 PPARD (0.39) ALDH1A1TP53KDM4E
SCHEMBL8546674 0.82 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2GAAEGLN1TP53
SCHEMBL8546652 0.81 PTGDR2 (0.34) ALDH1A1GAAKDM4E
SCHEMBL8551237 0.81 MEN1 (0.32) ALDH1A1SMN1; SMN2GAAKDM4EHTT
SCHEMBL8544938 0.80 ALDH1A1 (0.46) ALDH1A1GAATP53KDM4EHTT
SCHEMBL8545353 0.79 KDM4E (0.45) ALDH1A1SMN1; SMN2TP53KDM4ENPC1
SCHEMBL8546712 0.78 L3MBTL1 (0.45) ALDH1A1SMN1; SMN2TP53KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714393-B1 THIAZOLES AS ANTIVIRAL PFIZER (US) 1998-09-23 EP disclosed
US-5789408-A Antiviral thiazoles PFIZER INC. (US) 1998-08-04 US disclosed
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