SCHEMBL6283030

SCHEMBL6283030

Cc1ccc(-c2nc(-c3ccc(CSCc4ccc(-c5nc(-c6ccc(C)c(C)c6)c(-c6ccncc6)s5)cc4)cc3)sc2-c2ccncc2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.49
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
PTGS2 P35354 1/20 0.45
MCL1 Q07820 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
CDC7 O00311 7/20 0.37
DBF4 Q9UBU7 7/20 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
SCHEMBL6283027 0.86 MAPK14 (0.50) MAPK14ALDH1A1KMT2AMEN1LMNA
SCHEMBL6283253 0.86 MAPK14 (0.53) MAPK14ALDH1A1PTGS2KDM4EHPGD
SCHEMBL6501754 0.84 MAPK14 (0.50) MAPK14ALDH1A1KMT2AMEN1LMNA
SCHEMBL6280814 0.83 MAPK14 (0.55) MAPK14ALDH1A1KMT2AMEN1LMNA
SCHEMBL6285603 0.83 MAPK14 (0.50) MAPK14ALDH1A1KMT2AMEN1LMNA
SCHEMBL6276678 0.81 PTGS2 (0.62) MAPK14PTGS2RAB9AKDM4E
SCHEMBL6286370 0.81 MEN1 (0.50) MAPK14ALDH1A1KMT2AMEN1LMNA
SCHEMBL6505328 0.80 MAPK14 (0.51) MAPK14ALDH1A1KMT2AMEN1LMNA
SCHEMBL6503440 0.80 MAPK14 (0.76) MAPK14PTGS2
SCHEMBL6282401 0.75 ALDH1A1 (0.76) MAPK14ALDH1A1KMT2AMEN1LMNA

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
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP claimed
US-6962933-B1 Method for inhibiting p38 MAP kinase or TNF-α production using a 1,3-thiazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-08 US disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP disclosed