SCHEMBL9979843

SCHEMBL9979843

CCOC(=O)/C(=C\N)C(=O)c1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
LMNA P02545 3/20 0.44
GLO1 Q04760 1/20 0.41
KMT2A Q03164 5/20 0.40
CTSK P43235 1/20 0.40
ALDH1A1 P00352 3/20 0.40
PKM P14618 2/20 0.40
NPC1 O15118 1/20 0.40
CRHBP P24387 1/20 0.40
RAB9A P51151 1/20 0.40
CRHR2 Q13324 1/20 0.40
MEN1 O00255 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL279188 0.87 MAPT (0.47) MAPTLMNAGLO1KMT2ACTSK
SCHEMBL275028 0.87 MAPT (0.47) MAPTLMNAGLO1KMT2ACTSK
SCHEMBL275027 0.87 MAPT (0.47) MAPTLMNAGLO1KMT2ACTSK
SCHEMBL692577 0.79 KMT2A (0.60) MAPTLMNAKMT2AALDH1A1PKM
SCHEMBL16063547 0.77 ITGB1 (0.48) MAPTLMNAKMT2AALDH1A1PKM
SCHEMBL10225345 0.76 ATM (0.46) GLO1CTSKCYP1A2CYP2C9CYP2C19
SCHEMBL275672 0.75 LMNA (0.50) MAPTLMNAKMT2ACTSKALDH1A1
SCHEMBL1521502 0.75 MAPT (0.44) MAPTLMNAKMT2AALDH1A1PKM
SCHEMBL10542296 0.74 MAPT (0.38) MAPTLMNAGLO1KMT2AALDH1A1
SCHEMBL10542304 0.74 MAPT (0.38) MAPTLMNAGLO1KMT2AALDH1A1

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
EP-2465505-A1 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis Bayer HealthCare LLC (US) 2012-06-20 EP disclosed