SCHEMBL8921743

SCHEMBL8921743

C=CCNC(=O)c1nc2ccccc2c([N+](=O)[O-])c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 8/20 0.43
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 3/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.40
ALOX15 P16050 1/20 0.40
APP P05067 1/20 0.39
CTSD P07339 1/20 0.39
BACE1 P56817 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
SCHEMBL8560819 0.85 HPGD (0.53) L3MBTL1HPGDKDM4EMAPTCYP1A2
SCHEMBL8599626 0.82 HPGD (0.50) TP53L3MBTL1HPGDALDH1A1KDM4E
SCHEMBL8599144 0.80 SMN1; SMN2 (0.46) L3MBTL1HPGDALDH1A1KDM4EHTT
SCHEMBL8598657 0.80 HPGD (0.50) TP53L3MBTL1HPGDALDH1A1KDM4E
SCHEMBL8601173 0.80 ALDH1A1 (0.42) TP53HPGDALDH1A1KDM4EMEN1
SCHEMBL8563341 0.79 MAPT (0.49) TP53HPGDALDH1A1KDM4EMEN1
SCHEMBL8597788 0.79 GSK3A (0.46) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL8561968 0.78 MAP2K3 (0.49) TP53HPGDALDH1A1KDM4EMEN1
SCHEMBL8565819 0.76 HSD17B10 (0.49) TP53HPGDALDH1A1KDM4EMEN1
SCHEMBL8599003 0.75 KDM4E (0.37) HPGDALDH1A1KDM4EMEN1KMT2A

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
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed