SCHEMBL9283258

SCHEMBL9283258

N=C(Nc1ccc2c3c(cccc13)-c1ccccc1-2)Nc1ccc2c3c(cccc13)-c1ccccc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 2/20 0.54
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
CYP1A2 P05177 2/20 0.45
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 6/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 2/20 0.40
CASP1 P29466 1/20 0.40
HIF1A Q16665 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 4/20 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
Bromide SCHEMBL5055196 0.98 PABPC1 (0.53) PABPC1KEAP1NFE2L2CRHBPCRHR2
SCHEMBL28682214 0.78 CYP1A2 (0.65) PABPC1KEAP1NFE2L2CRHBPCRHR2
SCHEMBL6156281 0.75 PABPC1 (0.33) PABPC1KDM4EALDH1A1GAAHPGD
SCHEMBL9455606 0.75 PABPC1 (0.51) PABPC1KEAP1NFE2L2CRHBPCRHR2
SCHEMBL6156063 0.75 KDM4E (0.32) PABPC1KDM4EALDH1A1GAAHPGD
SCHEMBL6628883 0.75 PABPC1 (0.59) PABPC1KEAP1NFE2L2CRHBPCRHR2
SCHEMBL16200909 0.75 MEN1 (0.64) PABPC1KEAP1NFE2L2CRHBPCRHR2
SCHEMBL6155027 0.74 KDM4E (0.34) CYP1A2KDM4EALDH1A1GAATSHR
SCHEMBL1273874 0.74 KDM4E (0.64) CYP1A2KDM4EALDH1A1GAATSHR
SCHEMBL4982952 0.74 HSD17B10 (0.45) PABPC1CYP1A2KDM4EALDH1A1GAA

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
WO-1995020950-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-08-10 WO disclosed