SCHEMBL11824959

SCHEMBL11824959

COc1ccccc1C[S+]([O-])c1cc(C(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ MAPT P10636 7/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ TAS2R14 Q9NYV8 1/20 0.40
▸ TTR P02766 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
SCHEMBL11816111 0.85 TP53 (0.43) KMT2AMEN1MAPTTDP1CYP1A2
SCHEMBL11818420 0.84 TAS2R14 (0.43) KMT2AMEN1TAS2R14
SCHEMBL11816372 0.81 TP53 (0.48) KMT2AMEN1MAPTTDP1GAA
SCHEMBL11815276 0.80 KMT2A (0.51) KMT2AMEN1MAPTTDP1CYP1A2
SCHEMBL11820864 0.77 TAS2R14 (0.44) KMT2AALDH1A1SMN1; SMN2TAS2R14
SCHEMBL11815267 0.76 KMT2A (0.47) KMT2AMEN1MAPTTDP1CYP1A2
SCHEMBL11820449 0.76 MAPT (0.48) KMT2AMEN1MAPTTDP1CYP1A2
SCHEMBL11815303 0.74 CA12 (0.48) MAPTALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL30958878 0.73 IDO1 (0.46) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL11823158 0.73 POLB (0.47) KMT2AMEN1MAPTTDP1ALDH1A1

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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