SCHEMBL6152324

SCHEMBL6152324

CNCOc1ncccc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
BACE1 P56817 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 1/20 0.34
ALDH1A1 P00352 3/20 0.33
GRM4 Q14833 3/20 0.33
LMNA P02545 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 2/20 0.33
CYP2A6 P11509 1/20 0.33
MAOA P21397 1/20 0.32
MEN1 O00255 1/20 0.32
P2RX7 Q99572 1/20 0.32
LTA4H P09960 1/20 0.32

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
SCHEMBL6302801 0.82 CHRNB2 (0.50) HRH3CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL29977462 0.79 ALDH1A1 (0.50) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL1647418 0.79 ALDH1A1 (0.50) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL1936652 0.76 CYP1A2 (0.43) NOS3NOS1NOS2BACE1ALDH1A1
SCHEMBL14377126 0.75 GRM4 (0.35) HRH3ALDH1A1GRM4LMNATAAR1
SCHEMBL28696981 0.75 KMT2A (0.39) NOS3NOS1NOS2BACE1ALDH1A1
SCHEMBL31700841 0.75 NOS3 (0.34) NOS3NOS1NOS2BACE1ALDH1A1
SCHEMBL19172641 0.74 GRM4 (0.49) NOS3NOS1NOS2ALDH1A1GRM4
SCHEMBL19172730 0.74 CYP2C9 (0.55) ALDH1A1LMNALTA4H
SCHEMBL235146 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194117-B1 AGENT FOR DYEING KERATIN CONTAINING FIBRES HENKEL KGAA (DE) 2005-06-01 EP claimed
CN-114746069-A Three-step multi-tone hair dyeing method 汉高股份有限及两合公司 2022-07-12 CN disclosed
US-6436152-B1 Substituted 2-aminoalky-1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 2002-08-20 US disclosed