SCHEMBL790145

SCHEMBL790145

NC(=S)Nc1cccc(F)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GLA P06280 1/20 0.41
TP53 P04637 1/20 0.39
TYR P14679 1/20 0.39
TSHR P16473 1/20 0.39
TAS2R38 P59533 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CXCR2 P25025 4/20 0.39
GPR35 Q9HC97 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
SCHEMBL20560678 0.83 CXCR2 (0.40) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL4304864 0.81 RAB9A (0.50) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL5464387 0.81 L3MBTL1 (0.50) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL29838495 0.81 L3MBTL1 (0.50) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL650892 0.81 MEN1 (0.56) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL29639347 0.80 L3MBTL1 (0.59) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL147200 0.80 L3MBTL1 (0.59) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL18550663 0.78 ALDH1A1 (0.61) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL31389917 0.78 L3MBTL1 (0.56) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6833525 0.78 L3MBTL1 (0.47) L3MBTL1ALDH1A1MEN1KMT2AKDM4E

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
WO-2012037351-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037351-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037349-A2 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037349-A2 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed