SCHEMBL8563670

SCHEMBL8563670

Nc1nc2ccccc2c(C2(F)CC2)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
MGMT P16455 2/20 0.38
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 7/20 0.37
MEN1 O00255 5/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
BLM P54132 1/20 0.36
CDK5 Q00535 1/20 0.36
ATM Q13315 1/20 0.36
CDK5R1 Q15078 1/20 0.36
MAPK1 P28482 3/20 0.35

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
SCHEMBL8561581 0.81 ALDH1A1 (0.38) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8566522 0.78 KDM4E (0.38) MAPTCYP3A4KMT2AMEN1ALDH1A1
SCHEMBL8567950 0.78 CYP3A4 (0.47) MAPTMGMTCYP3A4KMT2AMEN1
SCHEMBL3953291 0.76 KDM4E (0.52) MAPTMGMTCYP3A4KMT2AMEN1
SCHEMBL8567514 0.74 S100A4 (0.54) MAPTMGMTCYP3A4KMT2AMEN1
SCHEMBL8562456 0.74 CYP3A4 (0.43) MAPTMGMTCYP3A4KMT2AMEN1
SCHEMBL12518927 0.74 MAOA (0.48) MAPTMGMTCYP3A4KMT2AMEN1
SCHEMBL8564337 0.73 BACE1 (0.42) MAPTMGMTCYP3A4KMT2AMEN1
SCHEMBL8564301 0.73 KDM4E (0.47) MAPTMGMTCYP3A4KMT2AMEN1
SCHEMBL8561723 0.72 POLB (0.48) MAPTKMT2AMEN1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
EP-0823908-A1 PYRIDO 2,3-d]PYRIMIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1998-02-18 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
WO-1996034867-A1 PYRIDO[2,3-d]PYRIMIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1996-11-07 WO disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed