SCHEMBL38543

SCHEMBL38543

COCC(=O)NCc1cccc(-c2cn3cc(C)sc3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 8/20 0.45
HPGD P15428 2/20 0.44
MTOR P42345 1/20 0.44
ALOX15 P16050 1/20 0.44
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ACSS2 Q9NR19 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
AURKA O14965 1/20 0.39
GAA P10253 1/20 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
SCHEMBL44862 0.89 GAA (0.47) WDR5HPGDRAB9APOLBMAPT
SCHEMBL45277 0.87 TP53 (0.49) WDR5HPGDALOX15RAB9ACYP2C19
SCHEMBL44495 0.82 WDR5 (0.55) WDR5HPGDMTORALOX15POLB
SCHEMBL44054 0.81 MAPT (0.53) MAPT
SCHEMBL46488 0.80 KDM4E (0.57) WDR5HPGDRAB9APOLBMAPT
SCHEMBL44674 0.80 MAPT (0.52) WDR5RAB9APOLBMAPT
SCHEMBL44856 0.80 F3 (0.51) WDR5POLBMAPTGAA
SCHEMBL45795 0.80 CHRM3 (0.49) WDR5MAPTGAA
SCHEMBL13844857 0.79 WDR5 (0.51) WDR5RAB9APOLBPSEN1PSEN2
SCHEMBL44645 0.79 WDR5 (0.51) WDR5HPGDPOLBMAPT

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
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO claimed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed