SCHEMBL4212367

SCHEMBL4212367

Clc1ccc(CSc2ncn[nH]2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
KDM4E B2RXH2 6/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 3/20 0.46
PKM P14618 1/20 0.45
MCL1 Q07820 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
MPI P34949 1/20 0.42

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
SCHEMBL9851979 0.72 GAA (1.00) GAAKDM4EHSD17B10CYP1A2CYP3A4
SCHEMBL5378866 0.69 GAA (0.43) GAAKDM4EALDH1A1RAB9ANPC1
SCHEMBL11636643 0.68 HSD17B10 (0.70) GAAKDM4EHSD17B10CYP1A2CYP3A4
SCHEMBL5380332 0.67 METAP2 (0.42) GAAALDH1A1LMNAPOLBRAB9A
SCHEMBL5762792 0.67 HPGD (0.33) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL5915237 0.67 DAO (0.39) GAACYP2C19PKMLMNAPOLB
SCHEMBL4202526 0.67 KDM4E (0.40) KDM4ECYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL12242700 0.64
SCHEMBL11233527 0.63 ALDH1A1 (0.40) HSD17B10ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5311448 0.62 KDM4E (0.51) GAAKDM4EHSD17B10CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379240-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2009-04-08 EP claimed
JP-2005506299-A 2005-03-03 JP claimed
EP-1379240-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-01-14 EP claimed
WO-2002078696-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO claimed