SCHEMBL17440485

SCHEMBL17440485

CCCCCCCCCC(CCCCCCC)N(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
KCNH2 Q12809 4/20 0.43
CSNK1E P49674 1/20 0.42
NPC1 O15118 1/20 0.41
JAK2 O60674 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
HTR2A P28223 1/20 0.40
ALDH1A1 P00352 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
NAAA Q02083 2/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL29025317 1.00 SIGMAR1 (0.46) SIGMAR1KCNH2CSNK1ENPC1JAK2
SCHEMBL28543069 1.00 SIGMAR1 (0.46) SIGMAR1KCNH2CSNK1ENPC1JAK2
SCHEMBL28546510 1.00 SIGMAR1 (0.46) SIGMAR1KCNH2CSNK1ENPC1JAK2
SCHEMBL886842 0.98 SIGMAR1 (0.44) SIGMAR1KCNH2CSNK1ENPC1JAK2
SCHEMBL17440484 0.98 SIGMAR1 (0.44) SIGMAR1KCNH2CSNK1ENPC1JAK2
SCHEMBL1406222 0.96 SIGMAR1 (0.43) SIGMAR1KCNH2CSNK1ENPC1JAK2
SCHEMBL19896421 0.96 SIGMAR1 (0.43) SIGMAR1KCNH2CSNK1ENPC1JAK2
SCHEMBL17440490 0.96 SIGMAR1 (0.43) SIGMAR1KCNH2CSNK1ENPC1JAK2
SCHEMBL27889574 0.96 SIGMAR1 (0.43) SIGMAR1KCNH2CSNK1ENPC1JAK2
SCHEMBL2493796 0.94 SIGMAR1 (0.44) SIGMAR1KCNH2CSNK1ENPC1JAK2

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
EP-3172296-B1 SELECTIVE ALKYLATION METHOD FOR PRODUCING P,P'-DI-ALKYLATED DIPHENYLAMINE ANTIOXIDANTS LANXESS CORP (US) 2021-05-19 EP disclosed
US-9890346-B2 Selective alkylation method for producing p, p′-di-alkylated diphenylamine antioxidants LANXESS SOLUTIONS US INC. (US) 2018-02-13 US disclosed
EP-3172296-A1 SELECTIVE ALKYLATION METHOD FOR PRODUCING P, P'-DI-ALKYLATED DIPHENYLAMINE ANTIOXIDANTS Chemtura Corporation (US) 2017-05-31 EP disclosed
WO-2016014380-A1 SELECTIVE ALKYLATION METHOD FOR PRODUCING P, P'-DI-ALKYLATED DIPHENYLAMINE ANTIOXIDANTS CHEMTURA CORPORATION (US) 2016-01-28 WO disclosed
US-20160017252-A1 Selective Alkylation Method for Producing p, p'-Di-alkylated Diphenylamine Antioxidants LANXESS SOLUTIONS US INC. 2016-01-21 US disclosed