SCHEMBL7785693

SCHEMBL7785693

CC(=O)Nc1cccc(C(=O)c2ccc(F)cc2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.63
RECQL P46063 2/20 0.63
ATM Q13315 1/20 0.63
GAA P10253 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.58
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 3/20 0.57
MEN1 O00255 1/20 0.57
KCNK3 O14649 1/20 0.56
KCNK9 Q9NPC2 1/20 0.56
HTT P42858 2/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
PKM P14618 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
AHR P35869 1/20 0.52

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
SCHEMBL11031257 0.87 ALDH1A1 (0.71) MAPTRECQLATMGAANPC1
SCHEMBL28216488 0.86 KCNK3 (0.62) RECQLGAANPC1RAB9AL3MBTL1
SCHEMBL474709 0.79 KMT2A (0.70) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL209624 0.79 ATM (0.67) ATML3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL20491276 0.79 SMN1; SMN2 (0.63) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL29493316 0.78 GAA (0.68) MAPTGAANPC1RAB9AL3MBTL1
SCHEMBL687148 0.78 GAA (0.68) MAPTGAANPC1RAB9AL3MBTL1
SCHEMBL31022695 0.76 MEN1 (0.62) MAPTNPC1RAB9AALDH1A1KMT2A
Hydrochloric Acid SCHEMBL29536454 0.76 GAA (0.66) MAPTGAANPC1RAB9AL3MBTL1
SCHEMBL758991 0.76 MEN1 (0.62) MAPTNPC1RAB9AALDH1A1KMT2A

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-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed