SCHEMBL7330422

SCHEMBL7330422

COc1ccc(-c2ccc(C=NO)o2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
MAPT P10636 4/20 0.52
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 4/20 0.47
GFER P55789 1/20 0.47
PDE4A P27815 1/20 0.43
CYP2A6 P11509 3/20 0.41
CYP3A4 P08684 2/20 0.41
S1PR1 P21453 1/20 0.41
HTT P42858 1/20 0.39
GCGR P47871 1/20 0.38

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
SCHEMBL7330415 1.00 KDM4E (0.52) KDM4EMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL11710905 0.84 PDE4A (0.63) KDM4EMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL11252888 0.84 PDE4A (0.63) KDM4EMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL11252892 0.84 PDE4A (0.63) KDM4EMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL7317023 0.83 ALDH1A1 (0.48) KDM4EMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL7328631 0.81 MAPT (0.56) KDM4EMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL7328626 0.81 MAPT (0.56) KDM4EMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL14300697 0.80 ALDH1A1 (0.59) KDM4EMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL14300696 0.80 ALDH1A1 (0.59) KDM4EMAPTALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL7318923 0.77 PDE4A (0.46) KDM4EALDH1A1PDE4AS1PR1

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