SCHEMBL9826977

SCHEMBL9826977

Nc1ccc(O)c(CN2CCOC2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.54
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
PRKCI P41743 1/20 0.40
CTSB P07858 1/20 0.36
GRM2 Q14416 2/20 0.36
PER2 O15055 1/20 0.36
CRY2 Q49AN0 1/20 0.36
NAAA Q02083 1/20 0.36
NR1I2 O75469 1/20 0.36
KCNH2 Q12809 1/20 0.36
DRD2 P14416 1/20 0.34
MAOA P21397 1/20 0.34
NQO2 P16083 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
CYP11B2 P19099 2/20 0.34
TSHR P16473 1/20 0.33
GFER P55789 1/20 0.33
BACE1 P56817 1/20 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
SCHEMBL5167206 0.80 ACHE (0.61) ACHEMAPK1KMT2APRKCITSHR
SCHEMBL260118 0.80 GRIN1 (0.41) MAPK1KMT2AGRM2PER2CRY2
SCHEMBL5584770 0.79 MPO (0.51) KMT2AGRM2NQO2TSHR
SCHEMBL9826473 0.79 CTSB (0.63) MAPK1CTSBTSHR
SCHEMBL2030514 0.78 ACHE (0.55) ACHEMAPK1KMT2APRKCIPER2
Hydrochloric Acid SCHEMBL5166501 0.77 ACHE (0.56) ACHEMAPK1KMT2APRKCIPER2
SCHEMBL259624 0.75 GRM2 (0.53) GRM2NAAANR1I2KCNH2CYP11B2
SCHEMBL20695806 0.73 KDM4E (0.44) KMT2AGRM2NAAANQO2
SCHEMBL126246 0.73 ACHE (0.86) ACHEPRKCICTSBTSHRGFER
SCHEMBL29565193 0.73 ACHE (0.86) ACHEPRKCICTSBTSHRGFER

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 7 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
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