SCHEMBL2863170

SCHEMBL2863170

Cc1ccc(C(=O)C#CC(=O)NC2CCN(c3nc(C)c(C)s3)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
CCNE1 P24864 4/20 0.36
CDK2 P24941 4/20 0.36
BTK Q06187 4/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
SMPD3 Q9NY59 1/20 0.35
PAK1 Q13153 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
KARS1 Q15046 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2858043 0.89 CCNE1 (0.40) PPARGPPARDPPARACCNE1CDK2
SCHEMBL974290 0.87 BTK (0.38) PPARGPPARDPPARABTKSMPD3
SCHEMBL2854222 0.86 SMN1; SMN2 (0.40) CCNE1CDK2BTKPOLBMAPT
SCHEMBL2861257 0.84 SMN1; SMN2 (0.37) CCNE1CDK2BTKPOLBSMPD3
SCHEMBL2856320 0.84 CHRNA7 (0.40) CCNE1CDK2BTKSMPD3PAK1
SCHEMBL2853786 0.83 LMNA (0.38) BTKPOLBMAPTPAK1CTSB
SCHEMBL973992 0.81 BTK (0.45) PPARDPPARABTKSMPD3NPC1
SCHEMBL972939 0.80 BTK (0.38) PPARGPPARDPPARACCNE1CDK2
SCHEMBL974372 0.79 SMPD3 (0.36) PPARDPPARABTKSMPD3NPC1
SCHEMBL972757 0.79 SMPD3 (0.41) PPARDPPARACCNE1CDK2BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP claimed