SCHEMBL532544

SCHEMBL532544

CCCCCCc1cc2cc(-c3ccnc(-c4ccc(F)cc4F)c3)sc2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.37
KMO O15229 2/20 0.34
MAPK14 Q16539 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33
SREBF2 Q12772 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
RARB P10826 1/20 0.31
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
F2RL3 Q96RI0 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
SCHEMBL526393 0.85 GCGR (0.37) GCGRKMOMAPK14NPC1RAB9A
SCHEMBL526884 0.84 GCGR (0.36) GCGRKMOMAPK14NPC1RAB9A
SCHEMBL526382 0.81 MAPT (0.40) NPC1RAB9AMAPTSREBF2PIM1
SCHEMBL526236 0.76 GCGR (0.33) GCGRKMOMAPK14NPC1RAB9A
SCHEMBL526153 0.74 NPC1 (0.36) GCGRKMOMAPK14NPC1RAB9A
SCHEMBL4078749 0.73 GCGR (0.44) GCGRKMORARBKCNH2TLR8
SCHEMBL6520265 0.71 LNPEP (0.36) NPC1RAB9AMAPTSREBF2MEN1
SCHEMBL13859420 0.69 PRKCI (0.37) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL844528 0.69 PRKCI (0.37) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL12369306 0.69 KMO (0.42) GCGRKMONPC1RAB9AMAPT

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