SCHEMBL11453866

SCHEMBL11453866

CC(C)Oc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.64
▸ MEN1 O00255 5/20 0.64
▸ RAB9A P51151 4/20 0.61
▸ HTT P42858 2/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ ABCG2 Q9UNQ0 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.55
▸ MAPT P10636 2/20 0.55
▸ GAA P10253 2/20 0.55
▸ NCOA1 Q15788 1/20 0.55
▸ NCOA3 Q9Y6Q9 1/20 0.55
▸ P2RX1 P51575 1/20 0.54
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ LMNA P02545 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ GLA P06280 1/20 0.52

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
SCHEMBL10520787 0.90 KMT2A (0.66) KMT2AMEN1RAB9AHTTSMN1; SMN2
SCHEMBL8711203 0.89 RAB9A (0.74) KMT2AMEN1RAB9AHTTSMN1; SMN2
SCHEMBL29282077 0.86 MEN1 (0.65) KMT2AMEN1RAB9AHTTSMN1; SMN2
SCHEMBL10400567 0.84 KMT2A (0.65) KMT2AMEN1RAB9AHTTSMN1; SMN2
SCHEMBL5666338 0.82 KMT2A (0.78) KMT2AMEN1RAB9AHTTSMN1; SMN2
SCHEMBL5224758 0.81 MEN1 (0.67) KMT2AMEN1HTTABCG2ALDH1A1
Mepronil SCHEMBL18447 0.80 KCNK3 (0.67) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1
Mepronil SCHEMBL20522512 0.80 KCNK3 (0.67) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1
Mepronil SCHEMBL30731287 0.80 KCNK3 (0.67) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1
Mepronil SCHEMBL29453871 0.80 KCNK3 (0.67) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55028909-A — — None — — JP disclosed
JP-S5528909-A 2-SUBSTITUTED BENZANILIDE DERIVATIVE AND ANTIMICROPHYTE FOR AGRICULTURE AND HORTICULTURE CONTAINING IT AS EFFECTIVE COMPONENT KUMIAI CHEM IND CO LTD 1980-02-29 — — JP disclosed
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