SCHEMBL13158697

SCHEMBL13158697

Cc1ccc(N(c2ccc(C=O)cc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C=O)cc3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.73
ALDH1A1 P00352 7/20 0.59
ALDH1A3 P47895 3/20 0.59
ALDH3A1 P30838 1/20 0.59
CYP2A13 Q16696 1/20 0.58
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TYR P14679 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL339173 1.00 CYP2A6 (0.73) CYP2A6ALDH1A1ALDH1A3ALDH3A1CYP2A13
SCHEMBL3340810 1.00 CYP2A6 (0.73) CYP2A6ALDH1A1ALDH1A3ALDH3A1CYP2A13
SCHEMBL13158692 1.00 CYP2A6 (0.73) CYP2A6ALDH1A1ALDH1A3ALDH3A1CYP2A13
SCHEMBL7686419 0.94 CYP2A6 (0.64) CYP2A6ALDH1A1ALDH1A3ALDH3A1CYP2A13
SCHEMBL7750921 0.94 CYP2A6 (0.64) CYP2A6ALDH1A1ALDH1A3ALDH3A1CYP2A13
SCHEMBL5754045 0.94 CYP2A6 (0.64) CYP2A6ALDH1A1ALDH1A3ALDH3A1CYP2A13
SCHEMBL13777816 0.94 CYP2A6 (0.64) CYP2A6ALDH1A1ALDH1A3ALDH3A1CYP2A13
SCHEMBL13805764 0.94 CYP2A6 (0.64) CYP2A6ALDH1A1ALDH1A3ALDH3A1CYP2A13
SCHEMBL13158696 0.94 CYP2A6 (0.64) CYP2A6ALDH1A1ALDH1A3ALDH3A1CYP2A13
SCHEMBL5354776 0.92 CYP2A6 (0.61) CYP2A6ALDH1A1ALDH1A3ALDH3A1CYP2A13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9728724-B2 Polymer containing aldehyde groups, reaction and crosslinking of this polymer, crosslinked polymer, and electroluminescent device comprising this polymer MERCK PATENT GMBH (DE) 2017-08-08 US disclosed
US-9728724-B2 Polymer containing aldehyde groups, reaction and crosslinking of this polymer, crosslinked polymer, and electroluminescent device comprising this polymer MERCK PATENT GMBH (DE) 2017-08-08 US disclosed
EP-2401316-B1 POLYMER HAVING ALDEHYDE GROUPS, CONVERTING AND CROSS-LINKING OF SAID POLYMER, CROSS-LINKED POLYMER, AND ELECTROLUMINESCENT DEVICE COMPRISING SAID POLYMER MERCK PATENT GMBH (DE) 2017-05-24 EP disclosed
US-20150325793-A1 POLYMER CONTAINING ALDEHYDE GROUPS, REACTION AND CROSSLINKING OF THIS POLYMER, CROSSLINKED POLYMER, AND ELECTROLUMINESCENT DEVICE COMPRISING THIS POLYMER MERCK PATENT GMBH (DE) 2015-11-12 US disclosed
US-20150325793-A1 POLYMER CONTAINING ALDEHYDE GROUPS, REACTION AND CROSSLINKING OF THIS POLYMER, CROSSLINKED POLYMER, AND ELECTROLUMINESCENT DEVICE COMPRISING THIS POLYMER MERCK PATENT GMBH (DE) 2015-11-12 US disclosed
US-9156939-B2 Polymer containing aldehyde groups, reaction and crosslinking of this polymer, crosslinked polymer, and electroluminescent device comprising this polymer MERCK PATENT GMBH (DE) 2015-10-13 US disclosed
US-9156939-B2 Polymer containing aldehyde groups, reaction and crosslinking of this polymer, crosslinked polymer, and electroluminescent device comprising this polymer MERCK PATENT GMBH (DE) 2015-10-13 US disclosed
WO-2010097155-A1 POLYMER HAVING ALDEHYDE GROUPS, CONVERTING AND CROSS-LINKING OF SAID POLYMER, CROSS-LINKED POLYMER, AND ELECTROLUMINESCENT DEVICE COMPRISING SAID POLYMER MERCK PATENT GMBH (DE) 2010-09-02 WO disclosed