SCHEMBL6971823

SCHEMBL6971823

[CH2]NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.58
FLT4 P35916 1/20 0.58
KDR P35968 1/20 0.58
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
CES2 O00748 1/20 0.56
MAPT P10636 4/20 0.55
POLB P06746 1/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
RAB9A P51151 1/20 0.54
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
GPR35 Q9HC97 2/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL8866483 0.85 CYP3A4 (0.59) FLT1FLT4KDRCYP3A4CYP2C19
SCHEMBL6971828 0.85 FLT1 (0.57) FLT1FLT4KDRCYP3A4CYP2C19
SCHEMBL1176899 0.85 CTSD (0.63) FLT1FLT4KDRCYP3A4CYP2C19
SCHEMBL9692669 0.84 CES2 (0.61) FLT1FLT4KDRCYP3A4CYP2C19
SCHEMBL11459254 0.82 CES2 (0.59) FLT1FLT4KDRCYP3A4CYP2C19
SCHEMBL30302454 0.82 KMT2A (0.72) CYP3A4CYP2C19MAPTPOLBMEN1
SCHEMBL5341177 0.82 CES2 (0.63) FLT1FLT4KDRCYP3A4CYP2C19
SCHEMBL27848157 0.82 LMNA (0.61) FLT1FLT4KDRCYP3A4CYP2C19
SCHEMBL503450 0.80 CES2 (0.66) CYP3A4CES2MAPTPOLBMEN1
SCHEMBL15610402 0.80 LMNA (0.56) FLT1FLT4KDRCYP3A4CYP2C19

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed