SCHEMBL7326155

SCHEMBL7326155

COc1cc(-c2ccc(C#N)o2)ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.50
PGR P06401 4/20 0.42
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 2/20 0.41
PRNP P04156 1/20 0.41
ALPG P10696 1/20 0.41
MAPK1 P28482 1/20 0.41
ALOX5 P09917 2/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 2/20 0.37
AR P10275 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36

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
SCHEMBL11709937 0.86 PDE4A (0.69) PDE4APGRKDM4EHSD17B10MAPT
SCHEMBL7319956 0.79 PDE4A (0.50) PDE4APGRKDM4EMAPTPTGS2
SCHEMBL7320359 0.76 CTSS (0.47) PDE4APGRKDM4EAR
SCHEMBL11777406 0.74 NQO2 (0.49) PGRKDM4EHSD17B10MAPTMAOB
SCHEMBL7328830 0.73 PDE4A (0.50) PDE4AKDM4EMAPTALOX5PTGS1
SCHEMBL30870706 0.73 KIT (0.46) PGRHSD17B10MAPTMAOBALDH1A1
SCHEMBL27439951 0.73 KIT (0.46) PGRHSD17B10MAPTMAOBALDH1A1
SCHEMBL4312617 0.73 ALDH1A1 (0.54) PDE4AHSD17B10MAPTALOX5PTGS2
SCHEMBL395933 0.73 PGR (0.46) PGRKDM4EHSD17B10MAPTALDH1A1
SCHEMBL18832312 0.73 HPGD (0.49) PGRKDM4EHSD17B10MAPTMAPK1

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-4895867-A 2-(5-phenyl-2-furanyl)imidazoles useful as cardiotonic agents NORWICH EATON PHARMACEUTICALS, INC. (US) 1990-01-23 US disclosed
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
EP-0251380-A2 2- (5-phenyl-2-furanyl) imidazoles useful as cardiotonic agents Norwich Eaton Pharmaceuticals, Inc. (US) 1988-01-07 EP disclosed