SCHEMBL5889185

SCHEMBL5889185

Cc1c(O)cccc1Nc1c(Cl)c(N)cc(O)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 2/20 0.41
▸ RET P07949 1/20 0.36
▸ KIF5B P33176 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TTR P02766 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TRPA1 O75762 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CLCN2 P51788 2/20 0.34
▸ MT-CO2 P00403 3/20 0.33
▸ TRPV1 Q8NER1 2/20 0.33

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
SCHEMBL5374279 0.74 TDP1 (0.39) RAPGEF4RETKIF5BMAPTGAA
SCHEMBL7938078 0.73 TRPA1 (0.54) RAPGEF4RETKIF5BMAPTGAA
SCHEMBL28044335 0.73 MAPT (0.50) RETKIF5BMAPTGAAALDH1A1
SCHEMBL11451246 0.68 RET (0.41) RAPGEF4RETKIF5BMAPTGAA
SCHEMBL3228186 0.65 MAPT (0.52) MAPTGAAALDH1A1LMNAKMT2A
Hydrochloric Acid SCHEMBL27722164 0.64 TRPA1 (0.48) RETKIF5BMAPTGAAALDH1A1
SCHEMBL1321007 0.64 RET (0.52) RETKIF5BMAPTGAALMNA
SCHEMBL22169138 0.64 CXCR2 (0.50) IDO1TDO2MAPTGAAALDH1A1
SCHEMBL8310698 0.64 TRPA1 (0.52) RETKIF5BIDO1MAPTGAA
SCHEMBL11406396 0.64 TRPA1 (0.52) RETKIF5BMAPTGAAALDH1A1

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-7077872-B2 Oxidation hair dyes containing 3-aminophenol derivatives, and novel 3-aminophenol derivatives WELLA AG (DE) 2006-07-18 — — US claimed
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