SCHEMBL9763219

SCHEMBL9763219

NC(=O)NC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.70
ALDH1A1 P00352 3/20 0.69
TDP1 Q9NUW8 3/20 0.63
ALPL P05186 2/20 0.63
HTT P42858 3/20 0.59
GAA P10253 3/20 0.59
NCOA1 Q15788 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
NCOA3 Q9Y6Q9 1/20 0.59
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KDM4E B2RXH2 4/20 0.56
MAPT P10636 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ALPI P09923 1/20 0.56

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
SCHEMBL4543254 0.87 CTSD (0.66) CTSDALDH1A1TDP1ALPLHTT
SCHEMBL28451182 0.84 ALDH1A1 (0.71) CTSDALDH1A1TDP1ALPLHTT
SCHEMBL962966 0.82 CTSD (1.00) CTSDALDH1A1TDP1ALPLHTT
SCHEMBL11298067 0.81 ALDH1A1 (0.72) CTSDALDH1A1TDP1ALPLHTT
SCHEMBL28760629 0.81 CTSD (0.54) CTSDALDH1A1TDP1ALPLHTT
SCHEMBL5665828 0.81 KMT2A (0.74) CTSDALDH1A1HTTGAANCOA1
SCHEMBL296470 0.80 ALDH1A1 (0.76) CTSDALDH1A1TDP1ALPLHTT
SCHEMBL6971514 0.80 ALDH1A1 (0.76) CTSDALDH1A1TDP1ALPLHTT
SCHEMBL31621278 0.80 ALDH1A1 (0.76) CTSDALDH1A1TDP1ALPLHTT
SCHEMBL10766788 0.80 CTSD (0.65) CTSDALDH1A1TDP1ALPLHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1268670-A None JP disclosed
CN-1023316-C Process for the prepn. of N-benzoyl urea compounds ISHIHARA SANGYO KAISHA (JP) 1993-12-29 CN disclosed
US-5055567-A For dyeing polyester CIBA-GEIGY CORPORATION (US) 1991-10-08 US disclosed
CN-1013196-B BENZOYL UREA COMPOUNDS PRODUCING PROCESS ISHIHARA SANGYO KAISHA (JP) 1991-07-17 CN disclosed
JP-H01268670-A 2-NITROBENZOYLUREA COMPOUND, PRODUCTION THEREOF AND ANTI-CANCER DRUG CONTAINING SAID COMPOUND ISHIHARA SANGYO KAISHA LTD 1989-10-26 JP disclosed
CN-86108213-A Process for preparing N-benzoyl urea compounds 1987-07-01 CN disclosed
CN-86101087-A The preparation method of benzoyl urea compound 1987-02-25 CN disclosed