SCHEMBL9198091

SCHEMBL9198091

CC(C)c1cc(NC(=O)c2ccccc2)cc(C(=O)O)c1Cl

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.66
LMNA P02545 2/20 0.66
GAA P10253 2/20 0.66
KMT2A Q03164 5/20 0.51
PKM P14618 2/20 0.49
KCNK3 O14649 4/20 0.48
KCNK9 Q9NPC2 4/20 0.48
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
MEN1 O00255 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
SMO Q99835 1/20 0.47
MAPT P10636 4/20 0.47
GRIK1 P39086 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTPN5 P54829 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
BCL2 P10415 1/20 0.46

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
SCHEMBL9201424 0.87 LMNA (0.49) HTTLMNAGAAKMT2AKCNK3
SCHEMBL9203707 0.86 DHODH (0.56) HTTLMNAGAAKMT2AKCNK3
SCHEMBL9204465 0.85 F2R (0.52) HTTLMNAGAAKMT2ANPC1
SCHEMBL9202946 0.85 KMT2A (0.51) HTTLMNAGAAKMT2ANPC1
SCHEMBL9199984 0.85 TDP1 (0.54) HTTLMNAGAAKMT2AKCNK3
SCHEMBL9199688 0.83 KCNK3 (0.65) KMT2AKCNK3KCNK9NPC1RAB9A
SCHEMBL22512393 0.80 HTT (1.00) HTTLMNAGAAKMT2AKCNK3
SCHEMBL9200578 0.80 HPGD (0.49) HTTLMNAGAAKMT2ANPC1
SCHEMBL9205680 0.79 SMN1; SMN2 (0.53) HTTLMNAKMT2APKMNPC1
SCHEMBL9199865 0.78 PKM (0.53) LMNAKMT2APKMNPC1RAB9A

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
EP-0497816-B1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD (CA) 1995-05-17 EP claimed