SCHEMBL11814074

SCHEMBL11814074

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.56
▸ MEN1 O00255 6/20 0.52
▸ KMT2A Q03164 6/20 0.52
▸ MAPT P10636 6/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ CYP2C9 P11712 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.48
▸ LMNA P02545 4/20 0.48
▸ HTT P42858 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ CES2 O00748 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ CTSB P07858 1/20 0.46
▸ HPGD P15428 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TSHR P16473 1/20 0.46

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
SCHEMBL6794925 0.91 ALDH1A1 (0.51) TP53MEN1KMT2AMAPTCYP3A4
SCHEMBL11820145 0.86 MEN1 (0.46) TP53MEN1KMT2AMAPTCYP3A4
SCHEMBL11822223 0.82 MEN1 (0.46) TP53MEN1KMT2AMAPTCYP3A4
SCHEMBL11821792 0.82 MAPT (0.48) TP53MEN1KMT2AMAPTCYP3A4
SCHEMBL13722496 0.81 MEN1 (0.60) MEN1KMT2AMAPTCYP3A4CYP2C19
SCHEMBL6790960 0.81 KMT2A (0.58) MEN1KMT2AMAPTCYP3A4CYP2C19
SCHEMBL11814079 0.80 TP53 (0.64) TP53MAPTALDH1A1CES2CES1
Dinitrophenylene SCHEMBL28982637 0.79 TP53 (0.82) TP53MEN1KMT2AMAPTCYP3A4
SCHEMBL11816911 0.78 CA12 (0.47) MEN1KMT2AMAPTCYP3A4CYP2C19
SCHEMBL8671668 0.78 MEN1 (0.60) MEN1KMT2AMAPTCYP3A4CYP2C19

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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