SCHEMBL10474196

SCHEMBL10474196

CC(Oc1cc(Oc2nn(C)c(C(F)(F)F)c2Cl)ccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
TTR P02766 1/20 0.40
PPOX P50336 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARG P37231 4/20 0.36
RAB9A P51151 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
PTGER4 P35408 1/20 0.34
TSHR P16473 2/20 0.33
ATM Q13315 1/20 0.33
MERTK Q12866 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
PDK2 Q15119 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 2/20 0.32

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
SCHEMBL10472555 0.92 TDP1 (0.38) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10474160 0.92 TDP1 (0.38) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10473577 0.92 TDP1 (0.38) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10472692 0.92 TDP1 (0.41) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10472090 0.91 RAB9A (0.37) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10471772 0.90 TDP1 (0.36) TDP1MEN1TTRPPOXKMT2A
SCHEMBL8351753 0.89 KMT2A (0.36) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10474052 0.89 MEN1 (0.39) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10474247 0.88 TDP1 (0.36) TDP1MEN1TTRPPOXKMT2A
SCHEMBL9442572 0.87 ALDH1A1 (0.36) TDP1MEN1TTRPPOXKMT2A

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