SCHEMBL4038600

SCHEMBL4038600

COc1ccc(-c2c(-c3ccncc3)cn[nH]c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MAPT P10636 1/20 0.52
CCNE2 O96020 1/20 0.49
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
MEN1 O00255 2/20 0.46
GFER P55789 1/20 0.46
COMT P21964 1/20 0.44
GAA P10253 2/20 0.44
GSK3B P49841 3/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GSK3A P49840 1/20 0.43
DYRK1A Q13627 1/20 0.43
TLR8 Q9NR97 1/20 0.43

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
SCHEMBL4800330 0.81 MAPK14 (0.63) CDK2GSK3BGCGRMAPK14
SCHEMBL4806075 0.81 MAPK14 (0.46) KMT2AMAPTCDK2MEN1GSK3B
SCHEMBL8221505 0.74 NOTUM (0.47) KMT2AMAPTCDK2MEN1
SCHEMBL14484688 0.74 SCN4A (0.59) KMT2AMAPTCCNE2CDK4CCND1
SCHEMBL4806374 0.74 KDR (0.47) KMT2AMAPTCCNE2CDK4CCND1
Hydrochloric Acid SCHEMBL30014997 0.73 SCN4A (0.57) KMT2AMAPTCCNE2CDK4CCND1
SCHEMBL4049176 0.72 MAPT (0.47) KMT2AMAPTMEN1MAPK14
SCHEMBL3949166 0.72 CDK4 (0.53) KMT2ACCNE2CDK4CCND1CCNE1
SCHEMBL8212288 0.72 AKT1 (0.53) KMT2AMAPTCDK2MEN1GSK3B
SCHEMBL8212313 0.72 MAPT (0.45) KMT2AMAPTCCNE2CDK4CCND1

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-2009023411-A1 COMPOSITIONS AND METHODS FOR TREATING OR CONTROLLING ANTERIOR- AND POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH & LOMB INCORPORATED (US) 2009-02-19 WO disclosed