SCHEMBL10499754

SCHEMBL10499754

NC(=O)c1cc2ccccc2c(C(N)=O)c1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 5/20 0.55
GAA P10253 2/20 0.55
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP1A2 P05177 1/20 0.52
GLA P06280 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.50
IKBKB O14920 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.44
ATM Q13315 2/20 0.43
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR35 Q9HC97 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
PABPC1 P11940 1/20 0.41

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
SCHEMBL30951633 0.85 KDM4E (0.61) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL5749296 0.84 ALDH1A1 (0.65) KDM4EALDH1A1GAAKMT2AMEN1
Hydrochloric Acid SCHEMBL27651681 0.82 ALDH1A1 (0.63) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL3454685 0.81 KDM4E (0.52) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL30350972 0.80 KDM4E (0.67) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL27668833 0.80 KDM4E (0.67) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL31294814 0.79 ALDH1A1 (0.50) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL28207840 0.79 ALDH1A1 (0.50) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL9624322 0.79 POLB (0.59) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL28626808 0.79 KDM4E (0.49) KDM4EALDH1A1GAAKMT2AMEN1

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-4835312-A Production process of N-substituted amide compounds MITSUI CHEMICALS, INCORPORATED (JP) 1989-05-30 US disclosed