SCHEMBL7329101

SCHEMBL7329101

CCOC(=O)c1cc(-c2ccc(F)cc2)ccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPT P10636 4/20 0.50
TSHR P16473 3/20 0.49
LMNA P02545 2/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
GRM6 O15303 1/20 0.47
PRKCZ Q05513 1/20 0.47
CHRNA7 P36544 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 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
SCHEMBL14252252 0.89 KDM4E (0.53) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7328943 0.87 TSHR (0.50) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30755337 0.87 TSHR (0.57) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10562029 0.87 TSHR (0.57) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28757629 0.86 TSHR (0.58) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3142953 0.85 CYP4F2 (0.57) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7324832 0.84 MAPT (0.50) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7336638 0.83 GAA (0.52) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL31623399 0.81 PRKCZ (0.56) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8364027 0.79 TSHR (0.52) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5545645-A Heterocyclic derivatives in the treatment of ischaemia and related diseases SYNTEX PHARMACEUTICALS, LIMITED (GB) 1996-08-13 US disclosed
EP-0693062-A1 HETEROCYCLIC DERIVATIVES IN THE TREATMENT OF ISCHAEMIA AND RELATED DISEASES SYNTEX PHARMACEUTICALS LTD. (GB) 1996-01-24 EP disclosed
US-5428037-A Piperazine derivatives; calcium and sodium channel antagonists SYNTEX PHARMACEUTICALS, LTD. (GB) 1995-06-27 US disclosed
WO-1994024116-A1 HETEROCYCLIC DERIVATIVES IN THE TREATMENT OF ISCHAEMIA AND RELATED DISEASES SYNTEX PHARMACEUTICALS LIMITED (GB) 1994-10-27 WO disclosed