SCHEMBL11289441

SCHEMBL11289441

Cc1cc([N+](=O)[O-])cc(Cl)c1Oc1ccc(Cl)c2c1CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP2C9 P11712 2/20 0.40
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
PDE7A Q13946 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.36
S1PR4 O95977 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRA P10827 2/20 0.35
THRB P10828 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
NPC1 O15118 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
SCHEMBL10963036 0.95 MEN1 (0.41) MEN1KMT2ACYP2C9HSD17B10GAA
SCHEMBL11027601 0.85 ALDH1A1 (0.44) MEN1KMT2AHSD17B10GAAPKM
SCHEMBL11031479 0.84 MEN1 (0.38) MEN1KMT2ACYP2C9HSD17B10GAA
SCHEMBL11030826 0.82 PDE7A (0.53) MEN1KMT2ACYP2C9HSD17B10GAA
SCHEMBL11028290 0.81 S1PR4 (0.36) MEN1KMT2AALDH1A1MAPTS1PR4
SCHEMBL11030710 0.81 CYP2C9 (0.41) MEN1KMT2ACYP2C9HSD17B10GAA
SCHEMBL10992654 0.81 MEN1 (0.40) MEN1KMT2ACYP2C9GAAALDH1A1
SCHEMBL10995814 0.79 MAPT (0.39) MEN1KMT2ACYP2C9HSD17B10PKM
SCHEMBL11030421 0.79 MAPT (0.48) MEN1KMT2ACYP2C9HSD17B10GAA
SCHEMBL10963205 0.78 PDE7A (0.51) MEN1KMT2AHSD17B10GAAPKM

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-0050321-A2 Novel bicyclooxyphenyl ureas, process for their preparation and pesticides containing them UNION CARBIDE CORPORATION (US) 1982-04-28 EP disclosed