SCHEMBL11816786

SCHEMBL11816786

Cc1cc(C(=O)O)cc([S+]([O-])Cc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SRD5A2 P31213 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PLA2G4B P0C869 1/20 0.39
▸ P2RY14 Q15391 1/20 0.39
▸ TPMT P51580 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TP53 P04637 1/20 0.38

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
SCHEMBL11816372 0.81 TP53 (0.48) TDP1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11823158 0.80 POLB (0.47) TDP1MEN1KMT2ASMN1; SMN2SRD5A2
SCHEMBL11819247 0.78 MMP1 (0.41) TDP1MEN1KMT2ASRD5A2ALDH1A1
SCHEMBL11820906 0.75 ALDH1A1 (0.47) TDP1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11816111 0.73 TP53 (0.43) TDP1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11819408 0.72 PKM (0.48) TDP1MEN1KMT2ASMN1; SMN2SRD5A2
SCHEMBL11828341 0.72 NR4A2 (0.46) MEN1KMT2ASRD5A2MAPTP2RY14
SCHEMBL265084 0.71 TSHR (0.63) TDP1MEN1KMT2ASMN1; SMN2SRD5A2
SCHEMBL11818098 0.70 NR4A2 (0.44) MEN1KMT2ASRD5A2LMNAMAPT
SCHEMBL20826098 0.70 TPMT (0.61) TDP1MEN1KMT2ASMN1; SMN2SRD5A2

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-3954994-A Intermediates for preparing hipolipemic agents and method of lowering the blood lipid level in mammals with said agents PFIZER INC. (US) 1976-05-04 — — US disclosed
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