SCHEMBL7982040

SCHEMBL7982040

O=[N+]([O-])c1cccc(Nc2ccccn2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.63
KMT2A Q03164 6/20 0.62
MEN1 O00255 4/20 0.62
TLR4 O00206 1/20 0.61
TLR2 O60603 1/20 0.61
MAPT P10636 5/20 0.61
RAB9A P51151 5/20 0.61
NPC1 O15118 4/20 0.61
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 2/20 0.61
LMNA P02545 2/20 0.61
MITF O75030 1/20 0.61
ABL1 P00519 1/20 0.61
BCR P11274 1/20 0.61
PRKCA P17252 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.58
CASP3 P42574 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
KCNH2 Q12809 1/20 0.55
ABCG2 Q9UNQ0 3/20 0.55

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
SCHEMBL6841808 0.88 MAPT (0.68) ROCK1KMT2AMEN1TLR4TLR2
SCHEMBL3662059 0.84 ROCK1 (0.65) ROCK1KMT2AMEN1MAPTRAB9A
SCHEMBL3889079 0.83 MEN1 (0.62) ROCK1KMT2AMEN1TLR4TLR2
SCHEMBL2285411 0.83 ABL1 (0.69) ROCK1KMT2AMEN1TLR4TLR2
SCHEMBL12486025 0.81 ROCK1 (0.62) ROCK1KMT2AMEN1MAPTRAB9A
SCHEMBL394734 0.80 KMT2A (0.67) ROCK1KMT2AMEN1MAPTRAB9A
SCHEMBL2717131 0.79 HPGD (0.69) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL1539911 0.78 KMT2A (0.60) ROCK1KMT2AMEN1MAPTRAB9A
SCHEMBL25371875 0.78 KMT2A (0.60) ROCK1KMT2AMEN1MAPTRAB9A
SCHEMBL5484658 0.78 ABCG2 (0.72) ROCK1KMT2AMEN1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074769-A Compositions and methods for treating proliferative disorders 艾科尔公司 2017-08-18 CN disclosed
CN-103748093-B Imidazopyridyl-the aminopyridine compounds being replaced ARQULE, INC. (US) 2016-06-01 CN disclosed
US-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US disclosed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP disclosed