SCHEMBL13001968

SCHEMBL13001968

CCS(=O)(=O)Nc1cccc(NC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.53
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
ADRA2A P08913 1/20 0.51
ADRA1A P35348 1/20 0.51
BRD4 O60885 3/20 0.48
MAPT P10636 2/20 0.47
PARP1 P09874 1/20 0.47
BRDT Q58F21 1/20 0.47
AURKA O14965 1/20 0.45
KDR P35968 1/20 0.45
AURKB Q96GD4 1/20 0.45
LRRK2 Q5S007 1/20 0.45
NR3C2 P08235 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HSP90AA1 P07900 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
SCHEMBL10294867 0.83 HPGD (0.47) HPGDLMNASMN1; SMN2HTTADRA2A
SCHEMBL10294172 0.81 NR3C2 (0.50) HPGDLMNASMN1; SMN2HTTADRA2A
SCHEMBL10191952 0.81 HPGD (0.53) HPGDLMNASMN1; SMN2HTTADRA2A
SCHEMBL1488105 0.80 KEAP1 (0.59) HPGDLMNASMN1; SMN2HTTBRD4
SCHEMBL23541117 0.79 ALOX15 (0.56) HPGDLMNASMN1; SMN2HTTADRA2A
SCHEMBL11655851 0.79 HTR6 (0.57) HPGDLMNASMN1; SMN2HTTADRA2A
SCHEMBL11126460 0.79 HSD17B2 (0.55) HPGDLMNASMN1; SMN2HTTADRA2A
SCHEMBL21240922 0.79 HPGD (0.47) HPGDLMNASMN1; SMN2HTTADRA2A
SCHEMBL7975302 0.79 HPGD (0.47) HPGDLMNASMN1; SMN2HTTADRA2A
SCHEMBL9993451 0.79 ALDH1A1 (0.53) HPGDLMNASMN1; SMN2HTTADRA2A

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-2010144359-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS ABRAXIS BIOSCIENCE, LLC (US) 2010-12-16 WO disclosed