SCHEMBL9194412

SCHEMBL9194412

COc1cc(C)c(O)cc1NC(=O)CF

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FLT1 P17948 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ HTT P42858 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ AHR P35869 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL9196057 0.81 MEN1 (0.53) ALDH1A1KMT2AMEN1MAPT
SCHEMBL9196567 0.79 CYP1A2 (0.50) FLT1KDRHTTNPSR1
SCHEMBL9196538 0.79 MEN1 (0.41) FLT1KDRALDH1A1KMT2AMEN1
SCHEMBL9192693 0.74 MEN1 (0.68) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL9191290 0.73 RET (0.40) FLT1KDRALDH1A1KMT2AMEN1
SCHEMBL9391738 0.73 ALDH1A1 (0.40) FLT1KDRALDH1A1SMN1; SMN2KMT2A
SCHEMBL27862261 0.73 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1HTT
SCHEMBL9193505 0.72 CYP3A4 (0.44) FLT1KDRALDH1A1MAPT
Hydrochloric Acid SCHEMBL9192812 0.72 RET (0.39) FLT1KDRALDH1A1KMT2AMEN1
SCHEMBL11372428 0.71 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2KMT2AMEN1HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0410471-B1 2-alkyl-4-methoxy-5-aminophenol or salt thereof, or 2-alkyl-4-methoxy-5-substituted aminophenol or salt thereof, and dyeing composition for keratin fibers comprising the same KAO CORP (JP) 1995-05-17 — — EP disclosed
US-5104414-A 2-alkyl-4-methoxy-5-aminophenol or salt thereof, or 2-alkyl-4-methoxy-5-substituted aminophenol or salt thereof, and dyeing composition for keratin fibers comprising the same KAO CORPORATION (JP) 1992-04-14 — — US disclosed
US-5015260-A Hair dyes for reaction with developer KAO CORPORATION (JP) 1991-05-14 — — US disclosed
EP-0410471-A2 2-alkyl-4-methoxy-5-aminophenol or salt thereof, or 2-alkyl-4-methoxy-5-substituted aminophenol or salt thereof, and dyeing composition for keratin fibers comprising the same Kao Corporation (JP) 1991-01-30 — — EP disclosed
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