SCHEMBL5504833

SCHEMBL5504833

CC(=O)c1ccccc1-c1nnn(C)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.46
GRM5 P41594 1/20 0.45
KMT2A Q03164 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
ABCG2 Q9UNQ0 2/20 0.42
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 2/20 0.39
NPC1 O15118 1/20 0.38
PIP4K2C Q8TBX8 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
AXL P30530 1/20 0.37

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
SCHEMBL11079561 0.86 BCAT2 (0.46) PDK2GRM5KMT2AABCG2HPGD
SCHEMBL2647877 0.76 PDK2 (0.50) PDK2GRM5KMT2ASMN1; SMN2LMNA
SCHEMBL20073445 0.74 TYK2 (0.46) PDK2HTTMAPK8MAPK10
SCHEMBL978600 0.72 KDM4C (0.50) PDK2KMT2AKDM4CSMN1; SMN2LMNA
SCHEMBL17449218 0.72 KDM4C (0.57) GRM5KMT2AKDM4CSMN1; SMN2LMNA
SCHEMBL31336603 0.71 ALDH1A1 (0.45) KMT2ASMN1; SMN2TP53
SCHEMBL31336940 0.71 CSNK2A1 (0.44) KMT2ASMN1; SMN2TP53RAB9A
SCHEMBL19207092 0.71 CSNK2A1 (0.44) KMT2ASMN1; SMN2TP53RAB9A
SCHEMBL13846219 0.70 NPSR1 (0.58) PDK2GRM5KMT2ASMN1; SMN2LMNA
SCHEMBL16846476 0.70 KDM4C (0.48) GRM5KMT2AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794157-A1 2-ACYLAMINOTHIAZOLE DERIVATIVES H.Lundbeck A/S (DK) 2007-06-13 EP disclosed
WO-2006032273-A1 2-ACYLAMINOTHIAZOLE DERIVATIVES H. LUNDBECK A/S (DK) 2006-03-30 WO disclosed