SCHEMBL526153

SCHEMBL526153

CCCCCCc1ccsc1-c1ccnc(-c2ccc(F)cc2F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 2/20 0.36
GCGR P47871 1/20 0.36
SREBF2 Q12772 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
PPARG P37231 1/20 0.34
KMO O15229 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
RARB P10826 1/20 0.33
MAPK14 Q16539 1/20 0.32
MAOA P21397 5/20 0.31
MAOB P27338 5/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL526244 0.80 SREBF2 (0.42) NPC1RAB9AMAPTSREBF2ALDH1A1
SCHEMBL18775204 0.80 HSD11B1 (0.31) NPC1RAB9AMAPTSREBF2ALDH1A1
SCHEMBL526393 0.77 GCGR (0.37) NPC1RAB9AMAPTGCGRSREBF2
SCHEMBL18674424 0.77 MAPK14 (0.38) MAPTALOX5MEN1KMT2AMAPK14
SCHEMBL17053270 0.77 MAPK14 (0.38) MAPTALOX5MEN1KMT2AMAPK14
SCHEMBL526236 0.76 GCGR (0.33) NPC1RAB9AMAPTGCGRPTGES
SCHEMBL526884 0.76 GCGR (0.36) NPC1RAB9AMAPTGCGRSREBF2
SCHEMBL17053349 0.76 MAPK14 (0.38) MAPTSREBF2ALOX5MEN1KMT2A
SCHEMBL526739 0.76 PLA2G4A (0.34) NPC1RAB9AMAPTSREBF2ALOX5
SCHEMBL4078749 0.75 GCGR (0.44) GCGRKMORARB

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
WO-2012013719-A1 NEW CYCLOMETALATED COMPLEXES FOR SOLAR CELLS UNIVERSITA' DEGLI STUDI DI MILANO BICOCCA (IT) 2012-02-02 WO disclosed