SCHEMBL11820145

SCHEMBL11820145

O=C(O)c1cc(SCc2cccc([N+](=O)[O-])c2)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.46
▸ KMT2A Q03164 7/20 0.46
▸ CYP3A4 P08684 4/20 0.46
▸ CYP2C19 P33261 4/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 7/20 0.45
▸ LMNA P02545 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HTT P42858 3/20 0.42
▸ PLA2G1B P04054 1/20 0.42
▸ ATG4B Q9Y4P1 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL11818505 0.87 MEN1 (0.43) MEN1KMT2ACYP3A4CYP2C19CYP2C9
SCHEMBL11814074 0.86 TP53 (0.56) MEN1KMT2ACYP3A4CYP2C19CYP2C9
SCHEMBL11825039 0.85 DAO (0.53) MAPTALDH1A1PLA2G1BATG4BPOLB
SCHEMBL11820578 0.83 ALDH1A1 (0.45) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL11822223 0.79 MEN1 (0.46) MEN1KMT2ACYP3A4CYP2C19CYP2C9
SCHEMBL6794925 0.77 ALDH1A1 (0.51) MEN1KMT2ACYP3A4CYP2C19CYP2C9
SCHEMBL11816911 0.75 CA12 (0.47) MEN1KMT2ACYP3A4CYP2C19CYP2C9
SCHEMBL13722496 0.75 MEN1 (0.60) MEN1KMT2ACYP3A4CYP2C19CYP2C9
SCHEMBL11815653 0.75 LMNA (0.56) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL11821945 0.73 DAO (0.47) MEN1KMT2AMAPTLMNAALDH1A1

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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