SCHEMBL526393

SCHEMBL526393

CCCCCCc1ccc(-c2ccnc(-c3ccc(F)cc3F)c2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.37
KMO O15229 2/20 0.34
MAPK14 Q16539 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
PRF1 P14222 1/20 0.33
RARB P10826 1/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 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
KIT P10721 1/20 0.32
PIM1 P11309 1/20 0.32

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
SCHEMBL526884 0.98 GCGR (0.36) GCGRKMOMAPK14KDM4CPRF1
SCHEMBL532544 0.85 GCGR (0.37) GCGRKMOMAPK14KDM4CRARB
SCHEMBL29946176 0.85 PRKCI (0.37) NPC1RAB9AMAPTKCNH2MEN1
SCHEMBL13859420 0.85 PRKCI (0.37) NPC1RAB9AMAPTKCNH2MEN1
SCHEMBL844528 0.85 PRKCI (0.37) NPC1RAB9AMAPTKCNH2MEN1
SCHEMBL29669260 0.84 PRKCI (0.36) NPC1RAB9AMAPTKCNH2MEN1
SCHEMBL29631485 0.84 PRKCI (0.36) NPC1RAB9AMAPTKCNH2MEN1
SCHEMBL14575073 0.82 PRKCI (0.35) NPC1RAB9AMAPTKCNH2MEN1
SCHEMBL14846491 0.82 PRKCI (0.35) NPC1RAB9AMAPTKCNH2MEN1
SCHEMBL26448827 0.80 PRKCI (0.34) NPC1RAB9AMAPTSREBF2CNR1

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