SCHEMBL15876217

SCHEMBL15876217

COC(=O)C1=C(c2ccccc2[N+](=O)[O-])CCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 13/20 0.60
SLC6A4 P31645 2/20 0.55
SLC6A2 P23975 7/20 0.50
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ABCC4 O15439 1/20 0.42
PLIN1 O60240 1/20 0.42
CACNA1F O60840 1/20 0.42
GMNN O75496 1/20 0.42
KCNK2 O95069 1/20 0.42
ABCB11 O95342 1/20 0.42
GSR P00390 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL25238621 0.83 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2ALDH1A1LMNA
SCHEMBL25317043 0.74 SLC6A3 (0.55) SLC6A3SLC6A4SLC6A2ALDH1A1CYP1A2
SCHEMBL13982727 0.74 MAPT (0.60) SLC6A3SLC6A4MAPK1ALDH1A1KDM4E
SCHEMBL21200837 0.74 SLC6A4 (0.95) SLC6A3SLC6A4SLC6A2ALDH1A1KMT2A
SCHEMBL29867630 0.74 SLC6A4 (0.95) SLC6A3SLC6A4SLC6A2ALDH1A1KMT2A
SCHEMBL2107714 0.73 SLC6A3 (0.61) SLC6A3SLC6A4SLC6A2
SCHEMBL6999838 0.73 SLC6A3 (0.85) SLC6A3SLC6A4SLC6A2
SCHEMBL5651714 0.71 ALDH1A1 (0.57) ALDH1A1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL17612857 0.71 SLC6A3 (0.51) SLC6A3SLC6A4SLC6A2ALDH1A1KDM4E
SCHEMBL25237787 0.71 SLC6A3 (0.51) SLC6A3SLC6A4SLC6A2MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014111493-A1 SUBSTITUTED BENZIMIDAZOLYL PHOSPHINE COMPOUNDS AND A METHOD FOR DECARBOXYLATING CARBON-CARBON LINKING SALTIGO GMBH (DE) 2014-07-24 WO disclosed
WO-2014111493-A1 SUBSTITUTED BENZIMIDAZOLYL PHOSPHINE COMPOUNDS AND A METHOD FOR DECARBOXYLATING CARBON-CARBON LINKING SALTIGO GMBH (DE) 2014-07-24 WO disclosed
EP-2757106-A1 Substituted benzimidazole phosphine compounds and a method for decarboxylating carbon-carbon bond Saltigo GmbH (DE) 2014-07-23 EP disclosed
EP-2757106-A1 Substituted benzimidazole phosphine compounds and a method for decarboxylating carbon-carbon bond Saltigo GmbH (DE) 2014-07-23 EP disclosed