SCHEMBL8098084

SCHEMBL8098084

NC(N)(O)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.58
SLC6A2 P23975 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HIF1A Q16665 1/20 0.58
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
FDPS P14324 1/20 0.50
LOXL2 Q9Y4K0 2/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.43
CYP2D6 P10635 1/20 0.43
KCNA5 P22460 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
TRPA1 O75762 1/20 0.42
CALM1 P0DP23 1/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 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
SCHEMBL135743 0.84 TAAR1 (0.58) TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2
SCHEMBL10503241 0.80 TAAR1 (0.67) TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2
SCHEMBL1698269 0.80 SLC6A2 (0.67) TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2
SCHEMBL2067126 0.78 CYP1A2 (0.61) TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2
SCHEMBL9271997 0.78 TAAR1 (0.58) TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2
SCHEMBL82460 0.78 CYP1A2 (0.61) TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2
SCHEMBL2067595 0.78 CYP1A2 (0.61) TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2
SCHEMBL352842 0.78 TAAR1 (0.64) TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2
SCHEMBL4081566 0.78 TAAR1 (0.64) TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2
SCHEMBL1421007 0.78 CYP1A2 (0.61) TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11071246-A None JP disclosed
CN-106398722-B Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element 奇美实业股份有限公司 2018-11-02 CN disclosed
EP-0706787-B1 Oxidation hair dye WELLA AG (DE) 2000-02-16 EP disclosed
JP-H1171246-A HAIR-DYEING AGENT COMPOSITION KAO CORP 1999-03-16 JP disclosed
EP-0706787-A1 Oxidation hair dye Wella Aktiengesellschaft (DE) 1996-04-17 EP disclosed