SCHEMBL11657882

SCHEMBL11657882

O=C(C=Cc1ccc([N+](=O)[O-])cc1C(=O)Cl)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.59
▸ BCHE P06276 1/20 0.59
▸ MAPT P10636 4/20 0.59
▸ CYP1B1 Q16678 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ NTSR1 P30989 2/20 0.54
▸ MAOA P21397 2/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ PTPN12 Q05209 1/20 0.49
▸ PTPN22 Q9Y2R2 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ TYR P14679 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MITF O75030 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HTT P42858 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
SCHEMBL11657877 0.84 ALDH1A1 (0.70) MAOBBCHEMAPTALDH1A1LMNA
SCHEMBL15807392 0.83 MAOB (0.72) MAOBBCHEMAPTCYP1B1ALDH1A1
SCHEMBL29083859 0.83 TYR (0.65) MAOBBCHEMAPTCYP1B1ALDH1A1
SCHEMBL27631290 0.83 TYR (0.65) MAOBBCHEMAPTCYP1B1ALDH1A1
SCHEMBL11655661 0.80 MAOB (0.56) MAOBBCHEMAPTCYP1B1ALDH1A1
SCHEMBL9779492 0.79 MAPT (0.70) MAOBBCHEMAPTCYP1B1ALDH1A1
SCHEMBL9779489 0.79 MAPT (0.70) MAOBBCHEMAPTCYP1B1ALDH1A1
SCHEMBL14317397 0.78 MAOB (0.56) MAOBBCHEMAPTCYP1B1ALDH1A1
SCHEMBL11652456 0.77 MAPT (0.55) MAOBBCHEMAPTCYP1B1ALDH1A1
SCHEMBL28346511 0.76 PTGDR2 (0.55) MAOBBCHEMAPTCYP1B1ALDH1A1

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-4128576-A O-Aroylvinyl benzoyl chlorides MONSANTO COMPANY (US) 1978-12-05 — — US disclosed
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