SCHEMBL9788746

SCHEMBL9788746

N#Cc1sc2cccc(Cl)c2c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
ALDH1A1 P00352 8/20 0.43
MAPK1 P28482 5/20 0.43
L3MBTL1 Q9Y468 5/20 0.43
PSMB8 P28062 2/20 0.42
MCL1 Q07820 1/20 0.42
OGG1 O15527 1/20 0.42
MAPT P10636 9/20 0.39
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
HPGD P15428 4/20 0.39
ALOX15 P16050 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CASP1 P29466 2/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39
PDE10A Q9Y233 1/20 0.39
USP2 O75604 3/20 0.36
TLR9 Q9NR96 2/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL11331315 0.71 LIMK1 (0.46) KDM4EALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL31568860 0.70 MAPK1 (0.53) KDM4EALDH1A1MAPK1L3MBTL1PSMB8
SCHEMBL9788747 0.69 OGG1 (0.49) KDM4EALDH1A1MAPK1L3MBTL1PSMB8
SCHEMBL12621502 0.68 GPR3 (0.36) KDM4EALDH1A1PSMB8MAPTMEN1
SCHEMBL15697615 0.68 MCL1 (0.76) KDM4EALDH1A1MAPK1L3MBTL1MCL1
SCHEMBL4343748 0.67 ALDH1A1 (0.73) KDM4EALDH1A1MAPK1L3MBTL1MCL1
SCHEMBL9404621 0.67 ALDH1A1 (0.45) KDM4EALDH1A1MAPK1L3MBTL1MCL1
SCHEMBL15766094 0.67 ALDH1A1 (0.66) KDM4EALDH1A1MAPK1L3MBTL1MCL1
SCHEMBL9865808 0.66 PSMB8 (0.43) KDM4EALDH1A1MAPK1L3MBTL1PSMB8
SCHEMBL31381488 0.66 KDM4E (0.44) KDM4EALDH1A1MAPK1L3MBTL1PSMB8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037966-A Suitable for dyeing polyester and polyamide fibers CIBA-GEIGY CORPORATION (US) 1991-08-06 US disclosed
EP-0385938-A1 Heteroaromatic azo dyes CIBA-GEIGY AG (CH) 1990-09-05 EP disclosed
US-4018768-A MICROBIOCIDES ELI LILLY AND COMPANY (US) 1977-04-19 US disclosed