SCHEMBL7320772

SCHEMBL7320772

N=C(NO)c1ccc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
LMNA P02545 3/20 0.53
HPGD P15428 3/20 0.53
ERCC5 P28715 1/20 0.51
FEN1 P39748 1/20 0.51
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MAPT P10636 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.49
PTPN1 P18031 1/20 0.49
SLC9A1 P19634 1/20 0.49
PKM P14618 1/20 0.49
TP53 P04637 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
SCN5A Q14524 2/20 0.45
SCN2A Q99250 2/20 0.45
SCN10A Q9Y5Y9 2/20 0.45
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL399205 0.91 ALDH1A1 (0.46) ALDH1A1LMNAHPGDERCC5FEN1
Hydrochloric Acid SCHEMBL11630508 0.83 ALDH1A1 (0.50) ALDH1A1LMNAHPGDERCC5FEN1
SCHEMBL394063 0.83 NQO2 (0.46) ALDH1A1LMNAHPGDMAPTSMN1; SMN2
SCHEMBL7352212 0.82 ALDH1A1 (0.53) ALDH1A1LMNAHPGDERCC5FEN1
SCHEMBL3504817 0.81 NQO2 (0.49) ALDH1A1LMNAHPGDPTPN1KDM4E
SCHEMBL11627043 0.79 ALDH1A1 (0.49) ALDH1A1LMNAHPGDERCC5FEN1
Hydrochloric Acid SCHEMBL7318890 0.75 CACNA1G (0.51) ALDH1A1LMNAHPGDNPC1RAB9A
SCHEMBL9480386 0.74 SLC9A1 (0.58) ALDH1A1LMNAHPGDERCC5FEN1
SCHEMBL11826852 0.74 ALDH1A1 (0.63) ALDH1A1LMNAHPGDERCC5FEN1
SCHEMBL26486695 0.73 PTPN1 (0.47) ALDH1A1LMNAHPGDERCC5FEN1

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