SCHEMBL7547467

SCHEMBL7547467

CCCCCCCCCCCCCCN(c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 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
HTR1B P28222 2/20 0.40
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1D P28221 1/20 0.39
KCNH2 Q12809 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
DHFR P00374 2/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL9619175 1.00 SIGMAR1 (0.42) SIGMAR1NPC1JAK2RAB9APAX8
SCHEMBL60339 1.00 SIGMAR1 (0.42) SIGMAR1NPC1JAK2RAB9APAX8
SCHEMBL60602 1.00 SIGMAR1 (0.42) SIGMAR1NPC1JAK2RAB9APAX8
SCHEMBL284844 1.00 SIGMAR1 (0.42) SIGMAR1NPC1JAK2RAB9APAX8
SCHEMBL3174758 1.00 SIGMAR1 (0.42) SIGMAR1NPC1JAK2RAB9APAX8
SCHEMBL58854 1.00 SIGMAR1 (0.42) SIGMAR1NPC1JAK2RAB9APAX8
SCHEMBL258570 1.00 SIGMAR1 (0.42) SIGMAR1NPC1JAK2RAB9APAX8
Methane SCHEMBL28682737 0.98 SIGMAR1 (0.41) SIGMAR1NPC1JAK2RAB9APAX8
SCHEMBL444584 0.98 SIGMAR1 (0.43) SIGMAR1NPC1JAK2RAB9APAX8
SCHEMBL58869 0.94 HTR1B (0.46) SIGMAR1HTR1BALDH1A1KMT2AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216224-A2 METHOD OF MANUFACTURING ALKYLATED PHENYLNAPHTHYLAMINE COMPOSITIONS; AND PRODUCTS Noveon IP Holdings Corp. (US) 2002-06-26 EP disclosed
WO-2001023343-A2 METHOD OF MANUFACTURING ALKYLATED PHENYLNAPHTHYLAMINE COMPOSITIONS; AND PRODUCTS NOVEON IP HOLDINGS CORP. (US) 2001-04-05 WO disclosed