SCHEMBL11579609

SCHEMBL11579609

Cc1ccc(NCC(Cl)=C(Cl)Cl)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CXCR2 P25025 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 5/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ RAB9A P51151 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HSD17B2 P37059 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL9749743 0.77 CXCR2 (0.51) SMN1; SMN2CXCR2MAPTGAAKMT2A
SCHEMBL6836535 0.76 CXCR2 (0.46) TRPA1SMN1; SMN2CXCR2MAPTGAA
SCHEMBL11211267 0.76 CYP3A4 (0.50) TRPA1SMN1; SMN2CXCR2MAPTGAA
Hydrochloric Acid SCHEMBL9313034 0.75 CXCR2 (0.45) TRPA1SMN1; SMN2CXCR2MAPTGAA
SCHEMBL5271027 0.73 KMT2A (0.46) TRPA1SMN1; SMN2CXCR2MAPTGAA
SCHEMBL28608254 0.72 CYP1A2 (0.51) SMN1; SMN2CXCR2MAPTGAAKMT2A
SCHEMBL19366107 0.71 IDO1 (0.53) TRPA1SMN1; SMN2CXCR2MAPTGAA
SCHEMBL27345253 0.71 TRPA1 (0.52) TRPA1SMN1; SMN2CXCR2MAPTGAA
SCHEMBL6130238 0.69 IDO1 (0.56) SMN1; SMN2CXCR2MAPTGAAKMT2A
SCHEMBL30671520 0.69 TRPA1 (0.54) TRPA1SMN1; SMN2CXCR2MAPTGAA

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-4109011-A INSECTICIDE CARBAMATES OF N-(POLYCHLOROALLYL)-AMINO-PHENOLS MONTEDISON S.P.A. (IT) 1978-08-22 — — US disclosed
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