SCHEMBL44862

SCHEMBL44862

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
WDR5 P61964 5/20 0.47
TP53 P04637 5/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.41
CYP19A1 P11511 1/20 0.40
LMNA P02545 2/20 0.40
AOC3 Q16853 1/20 0.40
THRB P10828 1/20 0.40
BRD4 O60885 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
SCHEMBL45277 0.92 TP53 (0.49) GAAWDR5TP53RAB9AMAPT
SCHEMBL38543 0.89 WDR5 (0.45) GAAWDR5RAB9AMAPTHPGD
SCHEMBL44495 0.86 WDR5 (0.55) WDR5MAPTKDM4EALDH1A1HPGD
SCHEMBL44636 0.85 TP53 (0.43) GAAWDR5TP53MAPTKDM4E
SCHEMBL44645 0.84 WDR5 (0.51) WDR5MAPTHPGDPOLBLMNA
SCHEMBL44054 0.83 MAPT (0.53) TP53MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL45795 0.83 CHRM3 (0.49) GAAWDR5TP53MAPTKDM4E
SCHEMBL13844857 0.82 WDR5 (0.51) WDR5TP53RAB9APOLB
SCHEMBL44483 0.80 RAB9A (0.52) TP53RAB9AMAPTKDM4ENPC1
SCHEMBL44398 0.80 CHRM3 (0.52) WDR5TP53

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