SCHEMBL11114960

SCHEMBL11114960

Cc1ccc(F)c(CN=C(N)N[N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
AKR1B1 P15121 1/20 0.35
KAT2B Q92831 1/20 0.35
HCRTR1 O43613 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 3/20 0.34
RECQL P46063 1/20 0.34
MEN1 O00255 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN2A Q99250 1/20 0.34

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
SCHEMBL10383505 0.72 AKR1B1 (0.39) POLBAKR1B1LMNARECQLMEN1
SCHEMBL9843115 0.66 POLB (0.42) POLBSMN1; SMN2NOS3
SCHEMBL10565369 0.66 ICMT (0.43)
SCHEMBL31397806 0.66 HTT (0.36) AKR1B1SMN1; SMN2LMNARECQLMAPT
SCHEMBL11114919 0.65 GRIN2B (0.50) POLBLMNAMEN1KMT2AKDM4E
SCHEMBL8239069 0.64 TAAR1 (0.43) AKR1B1CYP1A2SMN1; SMN2MAPT
SCHEMBL29339265 0.63 CARM1 (0.45) LMNAKMT2AKDM4E
Hydrochloric Acid SCHEMBL27918591 0.63 LMNA (0.51) POLBLMNAMEN1NOS3NOS1
SCHEMBL583371 0.62 TAAR1 (0.52) CYP1A2SMN1; SMN2TDP1
SCHEMBL268243 0.62 MAPK1 (0.54) SMN1; SMN2MEN1KMT2AKDM4EMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0113070-A1 The use of substituted nitro and cyanoguanidines for increasing crop yield AMERICAN CYANAMID COMPANY (US) 1984-07-11 EP disclosed