SCHEMBL6286370

SCHEMBL6286370

Clc1ccc(-c2nc(-c3ccc(CSCc4ccc(-c5nc(-c6ccc(Cl)cc6)c(-c6ccncc6)s5)cc4)cc3)sc2-c2ccncc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PTGS2 P35354 2/20 0.47
LMNA P02545 3/20 0.43
KDM4E B2RXH2 3/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ROCK2 O75116 1/20 0.42
GRK2 P25098 1/20 0.42
MAPK14 Q16539 2/20 0.41
HTT P42858 2/20 0.41
ALOX5 P09917 1/20 0.41
ALPG P10696 1/20 0.41
CDC7 O00311 4/20 0.41
DBF4 Q9UBU7 4/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.40
LSS P48449 1/20 0.40

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
SCHEMBL6276678 0.87 PTGS2 (0.62) PTGS2KDM4ERAB9AMAPK14ALOX5
SCHEMBL6286367 0.85 PTGS2 (0.48) MEN1KMT2APTGS2LMNAKDM4E
SCHEMBL15690382 0.82 PTGS2 (0.50) PTGS2LMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL6283253 0.82 MAPK14 (0.53) PTGS2KDM4EMAPK14ALOX5CDC7
SCHEMBL6280962 0.82 PTGS2 (0.48) MEN1KMT2APTGS2LMNAKDM4E
SCHEMBL6279375 0.82 PTGS2 (0.54) PTGS2LMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL6505966 0.82 PTGS2 (0.50) PTGS2LMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL6600796 0.81 PTGS2 (0.49) PTGS2LMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL6575979 0.81 PTGS2 (0.47) MEN1KMT2APTGS2LMNAKDM4E
SCHEMBL6283030 0.81 MAPK14 (0.49) MEN1KMT2APTGS2LMNAKDM4E

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