SCHEMBL7320779

SCHEMBL7320779

NC(=NO)c1ccc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.60
KCNH2 Q12809 1/20 0.56
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ERCC5 P28715 1/20 0.48
FEN1 P39748 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PRNP P04156 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PTPN1 P18031 1/20 0.46
ALOX12 P18054 1/20 0.44
SCN5A Q14524 1/20 0.44

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
SCHEMBL10092622 0.91 ALDH1A1 (0.55) SLC9A1KCNH2ALDH1A1LMNAHPGD
SCHEMBL11775657 0.84 ALDH1A1 (0.49) SLC9A1KCNH2ALDH1A1LMNAHPGD
SCHEMBL11777699 0.84 ALDH1A1 (0.49) SLC9A1KCNH2ALDH1A1LMNAHPGD
SCHEMBL8974037 0.83 ALDH1A1 (0.47) SLC9A1KCNH2ALDH1A1LMNAHPGD
SCHEMBL11779113 0.83 KCNH2 (0.49) SLC9A1KCNH2ALDH1A1LMNAHPGD
SCHEMBL10092616 0.83 ALDH1A1 (0.47) SLC9A1KCNH2ALDH1A1LMNAHPGD
SCHEMBL7352221 0.82 SLC9A1 (0.58) SLC9A1KCNH2ALDH1A1LMNAHPGD
SCHEMBL13167113 0.81 NQO2 (0.49) SLC9A1ALDH1A1LMNAHPGDNPC1
SCHEMBL11777874 0.80 NQO2 (0.56) SLC9A1ALDH1A1LMNAHPGDMAPT
SCHEMBL11779695 0.79 ALDH1A1 (0.44) SLC9A1KCNH2ALDH1A1LMNAHPGD

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-3946049-A 5-PHENYL-2-FURAMIDOXIMES MORTON-NORWICH PRODUCTS, INC. (US) 1976-03-23 US claimed
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
US-3946049-A 5-PHENYL-2-FURAMIDOXIMES MORTON-NORWICH PRODUCTS, INC. (US) 1976-03-23 US disclosed