SCHEMBL9710035

SCHEMBL9710035

CCCc1nc(SCCCC(=O)O)sc1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 8/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 6/20 0.38
LMNA P02545 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.37
PLTP P55058 2/20 0.37
HTT P42858 2/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
CYP1A2 P05177 1/20 0.36
LDHA P00338 1/20 0.36
EIF4A1 P60842 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 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
SCHEMBL9457533 0.89 MAPT (0.40) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9710192 0.87 LDHA (0.37) MAPTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL9457392 0.76 PLTP (0.42) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9457443 0.76 AOC3 (0.52) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL9458014 0.75 MAPT (0.42) MAPTALDH1A1HPGDHTT
SCHEMBL9457465 0.75 POLB (0.42) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9457594 0.73 POLB (0.39) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9710527 0.73 MAPT (0.42) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL9710287 0.72 POLB (0.46) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9458234 0.72 MEN1 (0.43) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1

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
WO-1992021666-A1 ANGIOTENSIN II RECEPTOR ANTAGONIST THIAZOLE DEVIVATIVES LABORATOIRES UPSA (FR) 1992-12-10 WO disclosed