SCHEMBL9587667

SCHEMBL9587667

Nc1c([N+](=O)[O-])cnn1-c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 4/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 4/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
GFER P55789 1/20 0.33
XDH P47989 1/20 0.31

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
SCHEMBL9586618 0.88 ALDH1A1 (0.36) ALDH1A1LMNASMN1; SMN2PKMPTGS1
SCHEMBL10587739 0.85 PKM (0.36) ALDH1A1LMNASMN1; SMN2PKMPTGS1
SCHEMBL10609185 0.76 PKM (0.47) ALDH1A1PKMMAPTCYP3A4HPGD
SCHEMBL10389921 0.75 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2PKMTDP1
SCHEMBL39558 0.74 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2TDP1CYP3A4
SCHEMBL10496955 0.74 PKM (0.38) ALDH1A1LMNASMN1; SMN2PKMPTGS1
SCHEMBL9357054 0.73 PTGS1 (0.55) ALDH1A1LMNAPKMPTGS1PTGS2
SCHEMBL10388804 0.73 CYP3A4 (0.43) ALDH1A1LMNASMN1; SMN2TDP1MAPT
SCHEMBL10400104 0.72 SMN1; SMN2 (0.38) ALDH1A1LMNASMN1; SMN2PKMPTGS1
SCHEMBL9589230 0.72 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2PKMPTGS1

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
US-5262382-A Preemergent or postemengent herbicides FMC CORPORATION (US) 1993-11-16 US disclosed