SCHEMBL7320359

SCHEMBL7320359

COc1ccc(-c2ccc(C#N)o2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.47
CTSK P43235 4/20 0.47
AR P10275 8/20 0.47
PDE4A P27815 1/20 0.46
PGR P06401 5/20 0.46
PIM1 P11309 1/20 0.42
S1PR1 P21453 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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 0.83 PDE4A (0.69) PDE4APGRKDM4E
SCHEMBL7328419 0.79 AR (0.43) ARPGRKDM4E
SCHEMBL7319956 0.79 PDE4A (0.50) PDE4APGRKDM4E
SCHEMBL7326155 0.76 PDE4A (0.50) ARPDE4APGRKDM4E
SCHEMBL7317023 0.76 ALDH1A1 (0.48) PDE4AS1PR1KDM4E
SCHEMBL7283993 0.76 KIF11 (0.58) CTSSCTSKARPGRPIM1
SCHEMBL7317586 0.74 AR (0.43) ARPGR
SCHEMBL10554573 0.73 RXRA (0.42) ARPGRKDM4E
SCHEMBL7330415 0.73 KDM4E (0.52) PDE4AS1PR1KDM4E
SCHEMBL7330422 0.73 KDM4E (0.52) PDE4AS1PR1KDM4E

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