SCHEMBL11822223

SCHEMBL11822223

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ MAPT P10636 4/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ HTT P42858 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TNF P01375 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NOD1 Q9Y239 1/20 0.42
▸ CTSB P07858 1/20 0.41
▸ HPGD P15428 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
SCHEMBL11816911 0.88 CA12 (0.47) MEN1KMT2AMAPTCYP3A4CYP2C19
SCHEMBL11822961 0.85 ALDH1A1 (0.49) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL11820801 0.83 NPC1 (0.45) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL11814074 0.82 TP53 (0.56) MEN1KMT2AMAPTCYP3A4CYP2C19
SCHEMBL11820145 0.79 MEN1 (0.46) MEN1KMT2AMAPTCYP3A4CYP2C19
SCHEMBL11814493 0.78 ALDH1A1 (0.49) MEN1KMT2AMAPTCYP3A4CYP2C19
SCHEMBL11853927 0.74 TRPV4 (0.45) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL11819780 0.74 GAA (0.43) MEN1KMT2AMAPTCYP3A4CYP2C19
SCHEMBL6794925 0.74 ALDH1A1 (0.51) MEN1KMT2AMAPTCYP3A4CYP2C19
SCHEMBL11819988 0.72 LMNA (0.46) MEN1KMT2AALDH1A1LMNAHPGD

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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