SCHEMBL5093348

SCHEMBL5093348

COC(=O)c1cc(OCC(=O)c2ccc(F)cc2)c2cc(F)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
PLA2G2A P14555 4/20 0.43
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DHODH Q02127 1/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
TNF P01375 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
NR2F2 P24468 1/20 0.41
HTT P42858 1/20 0.41
MCL1 Q07820 1/20 0.41
KLF5 Q13887 1/20 0.41
NOD1 Q9Y239 1/20 0.41

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
SCHEMBL5097671 0.95 RECQL (0.46) PKMPLA2G2AMAPTSMN1; SMN2NPC1
SCHEMBL5088547 0.94 PLA2G2A (0.47) PKMPLA2G2AMAPTSMN1; SMN2NPC1
SCHEMBL5091959 0.94 PLA2G2A (0.45) PLA2G2AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5090503 0.94 PLA2G2A (0.51) PLA2G2AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5090535 0.93 DHODH (0.52) PKMPLA2G2AMAPTSMN1; SMN2NPC1
SCHEMBL5097655 0.91 MAPT (0.46) PLA2G2AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5088534 0.90 PLA2G2A (0.42) PLA2G2AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5088571 0.88 RAB9A (0.48) PKMPLA2G2AMAPTSMN1; SMN2NPC1
SCHEMBL5093356 0.88 PKM (0.44) PKMMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5091911 0.87 NPC1 (0.53) PLA2G2AMAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470708-B2 Acidic quinoline derivatives and their use for the prevention and/or treatment of hyperglycaemia-related pathologies MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2008-12-30 US disclosed
US-7470708-B2 Acidic quinoline derivatives and their use for the prevention and/or treatment of hyperglycaemia-related pathologies MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2008-12-30 US disclosed
US-7470708-B2 Acidic quinoline derivatives and their use for the prevention and/or treatment of hyperglycaemia-related pathologies MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2008-12-30 US disclosed