SCHEMBL10473602

SCHEMBL10473602

Cn1nc(Oc2ccc([N+](=O)[O-])c(OC(C)(C)C(=O)O)c2)c(Cl)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TTR P02766 1/20 0.41
PPOX P50336 1/20 0.41
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
PPARA Q07869 8/20 0.35
PPARG P37231 6/20 0.35
PPARD Q03181 6/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34
ATM Q13315 2/20 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
SCHEMBL10474194 0.88 TDP1 (0.37) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10473691 0.87 MEN1 (0.37) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10474342 0.86 MEN1 (0.36) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10472077 0.85 MEN1 (0.36) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10471923 0.85 TDP1 (0.36) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8357453 0.85 MERTK (0.43) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10472692 0.85 TDP1 (0.41) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10472096 0.85 MEN1 (0.41) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10474196 0.84 TDP1 (0.40) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10474161 0.83 TDP1 (0.45) MEN1KMT2ATDP1TTRPPOX

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-4964895-A Substituted 4-(4-nitrophenoxy) pyrazoles and their use as herbicides MONSANTO COMPANY (US) 1990-10-23 US disclosed