SCHEMBL7318508

SCHEMBL7318508

NC(=NO)c1ccc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.40
CYP3A4 P08684 2/20 0.40
PGR P06401 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.39
SLC9A1 P19634 3/20 0.39
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CES2 O00748 1/20 0.38
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
CYP2C9 P11712 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
Hydrochloric Acid SCHEMBL7323889 0.99 AR (0.40) ARCYP3A4PGRALDH1A1MAPT
SCHEMBL10550294 0.80 KDM4E (0.41) ALDH1A1MEN1KMT2AKDM4ESLC9A1
Hydrochloric Acid SCHEMBL7325678 0.79 KDM4E (0.40) ALDH1A1MEN1KMT2AKDM4ESLC9A1
Hydrochloric Acid SCHEMBL7322286 0.79 KDM4E (0.40) ALDH1A1MEN1KMT2AKDM4ESLC9A1
SCHEMBL7318500 0.79 KDM4E (0.42) ARCYP3A4PGRALDH1A1MAPT
Hydrochloric Acid SCHEMBL7323883 0.78 KDM4E (0.41) ARCYP3A4PGRALDH1A1MAPT
Hydrochloric Acid SCHEMBL7318923 0.76 PDE4A (0.46) ALDH1A1KDM4ESLC9A1KCNH2
SCHEMBL11781836 0.76 MAPT (0.57) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11711488 0.76 AR (0.48) ARCYP3A4PGRALDH1A1MAPT
Hydrochloric Acid SCHEMBL11779824 0.75 MAPT (0.56) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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