SCHEMBL9826470

SCHEMBL9826470

CC(=O)NCc1cc(N)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.50
ACHE P22303 3/20 0.49
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
PTGS1 P23219 1/20 0.42
BLM P54132 1/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TNF P01375 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSPD1 P10809 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL1708818 0.84 NPSR1 (0.41) ALDH1A1KDM4EHPGDMAPTBLM
Hydrochloric Acid SCHEMBL6679209 0.83 KMT2A (0.42) ACHEALDH1A1KDM4EHPGDMAPT
SCHEMBL8321236 0.82 EGFR (0.53) ALDH1A1MAPTPTGS2TDP1ALOX5
SCHEMBL5724270 0.79 SETDB1 (0.57) ALDH1A1HPGDHIF1AHSD17B10LMNA
SCHEMBL4856579 0.79 MTNR1A (0.49) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL21417797 0.78 PRKCI (0.56) PRKCIACHEALDH1A1KDM4EHPGD
SCHEMBL18630144 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHIF1AHSD17B10
SCHEMBL21342736 0.78 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHIF1AHSD17B10
SCHEMBL10952440 0.77 PRKCI (0.55) PRKCIACHEALDH1A1KDM4EHPGD
SCHEMBL10638311 0.77 CYP2D6 (0.53) ALDH1A1HPGDHSD17B10MAPTKMT2A

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