SCHEMBL7320102

SCHEMBL7320102

O/N=C/c1ccc(-c2cccc(F)c2)o1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
GFER P55789 1/20 0.66
CYP2A6 P11509 3/20 0.56
CYP3A4 P08684 2/20 0.56
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
MAPT P10636 7/20 0.50
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
NPSR1 Q6W5P4 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SLC9A1 P19634 1/20 0.48
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL7320108 1.00 HPGD (0.66) HPGDSMN1; SMN2GFERCYP2A6CYP3A4
SCHEMBL3649780 0.80 HPGD (1.00) HPGDSMN1; SMN2GFERCYP2A6CYP3A4
SCHEMBL3649775 0.80 HPGD (1.00) HPGDSMN1; SMN2GFERCYP2A6CYP3A4
SCHEMBL7328684 0.79 ALDH1A1 (0.64) HPGDSMN1; SMN2CYP3A4NR4A1NR4A2
SCHEMBL4340043 0.78 MAPT (0.72) HPGDSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL4340042 0.78 MAPT (0.72) HPGDSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL7436062 0.75 SMN1; SMN2 (0.66) HPGDSMN1; SMN2GFERCYP2A6CYP3A4
SCHEMBL30938668 0.72 NR4A1 (0.64) CYP2A6CYP3A4NR4A1NR4A2NR4A3
SCHEMBL29273198 0.72 NR4A1 (0.64) CYP2A6CYP3A4NR4A1NR4A2NR4A3
SCHEMBL3648087 0.72 CYP2A6 (1.00) HPGDSMN1; SMN2GFERCYP2A6CYP3A4

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