SCHEMBL9520372

SCHEMBL9520372

O=C1NC(=O)c2c(Nc3ccccc3-c3ccccc3)cccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 6/20 0.53
HPGD P15428 3/20 0.53
GAA P10253 2/20 0.53
HSD17B10 Q99714 2/20 0.53
FABP3 P05413 1/20 0.49
FABP4 P15090 1/20 0.49
FABP5 Q01469 1/20 0.49
POLB P06746 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CASP3 P42574 5/20 0.47
GSK3B P49841 4/20 0.44
RGS12 O14924 1/20 0.44
GMNN O75496 1/20 0.44
PRKD3 O94806 1/20 0.44
EGFR P00533 1/20 0.44
LMNA P02545 1/20 0.44
PRKCG P05129 1/20 0.44
PRKCB P05771 1/20 0.44

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
SCHEMBL3259553 0.83 KDM4E (0.64) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL8834497 0.83 EGFR (0.64) KDM4EALDH1A1HPGDFABP3FABP4
Hydrochloric Acid SCHEMBL5138495 0.82 KDM4E (0.62) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL135332 0.81 GSK3B (0.56) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL27368904 0.81 KDM4E (0.53) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL11881743 0.81 KDM4E (0.53) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL10732067 0.80 FABP4 (0.54) ALDH1A1FABP3FABP4FABP5POLB
SCHEMBL27461123 0.79 STK10 (0.55) KDM4EALDH1A1HPGDGAAHSD17B10
Ammonia Solution, Strong SCHEMBL28821133 0.79 GSK3B (0.54) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL29032840 0.79 GSK3B (0.54) KDM4EALDH1A1HPGDGAAHSD17B10

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-0546113-A1 NONLINEAR OPTICAL MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-16 EP disclosed