SCHEMBL9826464

SCHEMBL9826464

CC(=O)Nc1c(O)ccc(N)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
MAPT P10636 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
BRD4 O60885 1/20 0.38
NR1I2 O75469 1/20 0.38
MB P02144 1/20 0.38
CYP1A1 P04798 1/20 0.38
CA3 P07451 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL10390205 0.83 ALDH1A1 (0.60) ALDH1A1MAOAMAOBHDAC1HDAC3
SCHEMBL27782173 0.79 MAPT (0.52) ALDH1A1MAOAMAOBHDAC1MAPT
SCHEMBL11022909 0.76 HDAC1 (0.49) ALDH1A1HDAC1HDAC3HDAC2MAPT
SCHEMBL10638316 0.75 ALDH1A1 (0.46) ALDH1A1MAOAMAOBHDAC1MAPT
SCHEMBL5332980 0.75 KDM4E (0.47) ALDH1A1MAOAMAOBMAPTMEN1
SCHEMBL10676572 0.73 ALDH1A1 (0.62) ALDH1A1MAOAMAOBHDAC1MAPT
SCHEMBL28176482 0.73 HDAC3 (0.49) ALDH1A1HDAC1HDAC3HDAC2MAPT
SCHEMBL6607470 0.73 CTSB (0.45) ALDH1A1MAOAMAOBMAPTMEN1
SCHEMBL4047702 0.71 ALDH1A1 (0.55) ALDH1A1MAOAMAOBMAPTCA12
SCHEMBL927390 0.71 PEPD (0.42) ALDH1A1MAOAMAOBMAPTCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226072-B1 OXIDATION DYE CONTAINING 4-AMINO-2-AMINOMETHYL PHENOL Wella Aktiengesellschaft (DE) 1991-04-10 EP claimed
US-4797130-A DYE DEVELOPERS GOOD FOR RED COLORING WELLA AKTIENGESELLSCHAFT (DE) 1989-01-10 US claimed
EP-0226072-A1 Oxidation dye containing 4-amino-2-aminomethyl phenol Wella Aktiengesellschaft (DE) 1987-06-24 EP claimed
WO-1987003475-A2 OXIDIZING HAIR DYER BASED ON 4-AMINO-2-AMINOMETHYLPHENOLS WELLA AKTIENGESELLSCHAFT (DE) 1987-06-18 WO claimed
EP-0226072-B1 OXIDATION DYE CONTAINING 4-AMINO-2-AMINOMETHYL PHENOL Wella Aktiengesellschaft (DE) 1991-04-10 EP disclosed
US-4797130-A DYE DEVELOPERS GOOD FOR RED COLORING WELLA AKTIENGESELLSCHAFT (DE) 1989-01-10 US disclosed
EP-0226072-A1 Oxidation dye containing 4-amino-2-aminomethyl phenol Wella Aktiengesellschaft (DE) 1987-06-24 EP disclosed
WO-1987003475-A2 OXIDIZING HAIR DYER BASED ON 4-AMINO-2-AMINOMETHYLPHENOLS WELLA AKTIENGESELLSCHAFT (DE) 1987-06-18 WO disclosed