SCHEMBL7325347

SCHEMBL7325347

N#Cc1ccc(-c2cc(O)cc(C(F)(F)F)c2)o1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.35
PGR P06401 3/20 0.34
KDM1A O60341 1/20 0.34
RXRA P19793 1/20 0.34
RXRG P48443 1/20 0.34
KIF11 P52732 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC9A1 P19634 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL10554573 0.79 RXRA (0.42) ARPGRKDM1ARXRARXRG
SCHEMBL7319411 0.79 GAA (0.50) RXRAKDM4EALDH1A1SLC9A1CYP1A2
SCHEMBL18832308 0.78 KIF11 (0.52) ARPGRKIF11KDM4EALDH1A1
SCHEMBL8999890 0.71 KIF11 (0.46) KDM1ARXRARXRGKIF11
Hydrochloric Acid SCHEMBL7320013 0.70 SLC9A1 (0.45) KDM1AKDM4EALDH1A1SLC9A1CYP1A2
Hydrochloric Acid SCHEMBL7320004 0.70 CYP1A2 (0.39) KDM1AKDM4EALDH1A1SLC9A1CYP1A2
SCHEMBL395933 0.69 PGR (0.46) PGRKDM4EALDH1A1ESR1ESR2
SCHEMBL29320291 0.68 RXRA (0.55) ARRXRARXRGKIF11CYP1A2
Cyanate SCHEMBL30681205 0.67 CES2 (0.43) ARKIF11
SCHEMBL1409490 0.67 HIF1A (0.39) KIF11KDM4EALDH1A1SLC9A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4882354-A N-hydroxy-5-phenyl-2-furancarboximidamides useful as cardiotonic agents NORWICH EATON PHARMACEUTICALS, INC. (US) 1989-11-21 US disclosed
EP-0321431-A1 N-hydroxy-5-phenyl-2-furancarboximidamides useful as cardiotonic agents Norwich Eaton Pharmaceuticals, Inc. (US) 1989-06-21 EP disclosed