SCHEMBL526236

SCHEMBL526236

CCCCCCCCc1sc(-c2ccnc(-c3ccc(F)cc3F)c2)c2c1OCCO2

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.33
MAPK14 Q16539 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
KMO O15229 1/20 0.30
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30
PPARG P37231 1/20 0.30
RARB P10826 1/20 0.30

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
SCHEMBL526231 0.82 MAPT (0.35) NPC1MAPTRAB9A
SCHEMBL526039 0.80 AR (0.31)
SCHEMBL526393 0.77 GCGR (0.37) GCGRMAPK14NPC1MAPTRAB9A
SCHEMBL526153 0.76 NPC1 (0.36) GCGRMAPK14NPC1MAPTRAB9A
SCHEMBL532544 0.76 GCGR (0.37) GCGRMAPK14NPC1MAPTRAB9A
SCHEMBL526884 0.75 GCGR (0.36) GCGRMAPK14NPC1MAPTRAB9A
SCHEMBL12958383 0.72 RAB9A (0.33) NPC1MAPTRAB9ARARB
SCHEMBL4078749 0.71 GCGR (0.44) GCGRKMORARB
SCHEMBL18775537 0.68
SCHEMBL12369306 0.67 KMO (0.42) GCGRNPC1MAPTRAB9AKMO

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