SCHEMBL7324832

SCHEMBL7324832

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CRHBP P24387 1/20 0.50
KMT2A Q03164 1/20 0.50
CRHR2 Q13324 1/20 0.50
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
FOS P01100 1/20 0.43
JUN P05412 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL3624895 0.89 RXRA (0.54) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL10566215 0.88 MRGPRX4 (0.49) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL7329101 0.84 KDM4E (0.52) MAPTKDM4EMEN1KMT2ANPSR1
SCHEMBL7328943 0.83 TSHR (0.50) MAPTKDM4EMEN1KMT2ANPSR1
SCHEMBL28757629 0.82 TSHR (0.58) MAPTKDM4EMEN1KMT2ANPSR1
SCHEMBL17882023 0.82 KIF11 (0.43) RXRARXRBPSEN1PSEN2APH1B
SCHEMBL7336605 0.80 RXRB (0.60) KDM4ERXRARXRB
SCHEMBL2294507 0.80 MAPT (0.57) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL4691963 0.80 CA12 (0.50) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL7336638 0.79 GAA (0.52) MAPTKDM4EMEN1HSP90AA1KMT2A

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