SCHEMBL7328419

SCHEMBL7328419

N#Cc1ccc(-c2ccc(O)c(C(F)(F)F)c2)o1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.43
PGR P06401 4/20 0.43
HSD17B1 P14061 2/20 0.41
HSD17B2 P37059 2/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
NOTUM Q6P988 1/20 0.38
P4HB P07237 2/20 0.37
KDM4E B2RXH2 1/20 0.36
KIF11 P52732 1/20 0.35

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
SCHEMBL7320359 0.79 CTSS (0.47) ARPGRKDM4E
SCHEMBL7317586 0.77 AR (0.43) ARPGRKIF11
SCHEMBL18832308 0.74 KIF11 (0.52) ARPGRNOTUMKDM4EKIF11
SCHEMBL24909337 0.74 XDH (0.36) ARPGRP4HBKIF11
SCHEMBL7325347 0.73 AR (0.35) ARPGRESR1ESR2KDM4E
SCHEMBL7275576 0.73 KIF11 (0.63) ARPGRHSD17B1HSD17B2P4HB
SCHEMBL1938893 0.73 HSD17B1 (0.65) ARPGRHSD17B1HSD17B2ESR1
SCHEMBL29485676 0.73 HSD17B1 (0.65) ARPGRHSD17B1HSD17B2ESR1
SCHEMBL395933 0.73 PGR (0.46) PGRESR1ESR2KDM4E
SCHEMBL7319411 0.73 GAA (0.50) KDM4E

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