SCHEMBL14720501

SCHEMBL14720501

C=Cc1ccc(Cc2nccn2CCCC)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
TLR8 Q9NR97 2/20 0.41
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7908694 0.83 ALDH1A1 (0.53) ALDH1A1KMT2APOLBTLR8NPSR1
SCHEMBL28748507 0.82 ALDH1A1 (0.56) ALDH1A1KMT2APOLBTLR8MEN1
Bromide SCHEMBL29378435 0.81 ALDH1A1 (0.54) ALDH1A1KMT2APOLBTLR8MEN1
SCHEMBL6648272 0.80 ALDH1A1 (0.47) ALDH1A1KMT2APOLBTLR8NPSR1
SCHEMBL6115119 0.80 ALDH1A1 (0.69) ALDH1A1KMT2APOLBCA1CA2
SCHEMBL3024263 0.80 L3MBTL1 (0.35) ALDH1A1KMT2APOLBCA1CA2
SCHEMBL7905621 0.80 ALDH1A1 (0.49) ALDH1A1KMT2APOLBCA1CA2
SCHEMBL7905618 0.77 KMT2A (0.47) ALDH1A1KMT2APOLBMEN1NPSR1
SCHEMBL10690996 0.77 TLR8 (0.50) ALDH1A1KMT2APOLBTLR8MEN1
SCHEMBL16666189 0.77 TLR8 (0.50) ALDH1A1KMT2APOLBTLR8MEN1

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
EP-2747918-A1 IONIC LIQUID RELEASE COAT FOR USE IN METAL FLAKE MANUFACTURE Eckart America Corporation (US) 2014-07-02 EP claimed
WO-2013028970-A1 IONIC LIQUID RELEASE COAT FOR USE IN METAL FLAKE MANUFACTURE ECKART AMERICA CORPORATION (US) 2013-02-28 WO claimed
EP-2747918-A1 IONIC LIQUID RELEASE COAT FOR USE IN METAL FLAKE MANUFACTURE Eckart America Corporation (US) 2014-07-02 EP disclosed
WO-2013028970-A1 IONIC LIQUID RELEASE COAT FOR USE IN METAL FLAKE MANUFACTURE ECKART AMERICA CORPORATION (US) 2013-02-28 WO disclosed