SCHEMBL11816111

SCHEMBL11816111

Cc1ccccc1C[S+]([O-])c1cc(C(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.43
▸ ATM Q13315 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.39
▸ MAPT P10636 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALOX5 P09917 2/20 0.39
▸ TSHR P16473 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL11824959 0.85 KMT2A (0.46) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11816372 0.84 TP53 (0.48) TP53ATMALDH1A1MAPTSMN1; SMN2
SCHEMBL11823158 0.76 POLB (0.47) TP53ALDH1A1MAPTSMN1; SMN2ALOX5
SCHEMBL11818774 0.75 ALDH1A1 (0.46) TP53ATMALDH1A1MAPTSMN1; SMN2
SCHEMBL11815968 0.74 MAPT (0.45) TP53ATMALDH1A1MAPTSMN1; SMN2
SCHEMBL11816786 0.73 TDP1 (0.45) TP53ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL11818098 0.73 NR4A2 (0.44) TP53MAPTMEN1KMT2ALMNA
SCHEMBL6911927 0.71 TAAR1 (0.41) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL27846387 0.70 TP53 (0.50) TP53ATMALDH1A1MAPTSMN1; SMN2
SCHEMBL11815276 0.68 KMT2A (0.51) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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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