SCHEMBL17067965

SCHEMBL17067965

c1ccc(N(c2ccccc2)c2ccc(Nc3ccc(-c4ccc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
L3MBTL1 Q9Y468 5/20 0.52
HSD17B10 Q99714 5/20 0.52
TDP1 Q9NUW8 4/20 0.52
ALOX12 P18054 3/20 0.52
TSHR P16473 3/20 0.52
ALOX15 P16050 2/20 0.52
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52
MAPK1 P28482 1/20 0.52
PTGS2 P35354 1/20 0.52
HTR2B P41595 1/20 0.52
CYP3A4 P08684 5/20 0.48
MAPT P10636 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 2/20 0.43

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
SCHEMBL18874777 1.00 ALDH1A1 (0.52) ALDH1A1L3MBTL1HSD17B10TDP1ALOX12
SCHEMBL2845942 1.00 ALDH1A1 (0.52) ALDH1A1L3MBTL1HSD17B10TDP1ALOX12
SCHEMBL2754557 1.00 ALDH1A1 (0.52) ALDH1A1L3MBTL1HSD17B10TDP1ALOX12
SCHEMBL13854625 1.00 ALDH1A1 (0.52) ALDH1A1L3MBTL1HSD17B10TDP1ALOX12
SCHEMBL17965663 0.98 ALDH1A1 (0.56) ALDH1A1L3MBTL1HSD17B10TDP1ALOX12
SCHEMBL2180914 0.98 ALDH1A1 (0.50) ALDH1A1L3MBTL1HSD17B10TDP1ALOX12
SCHEMBL17409606 0.98 ALDH1A1 (0.56) ALDH1A1L3MBTL1HSD17B10TDP1ALOX12
SCHEMBL21103545 0.98 ALDH1A1 (0.56) ALDH1A1L3MBTL1HSD17B10TDP1ALOX12
SCHEMBL4238543 0.98 ALDH1A1 (0.56) ALDH1A1L3MBTL1HSD17B10TDP1ALOX12
SCHEMBL12322575 0.98 ALDH1A1 (0.56) ALDH1A1L3MBTL1HSD17B10TDP1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2163550-B1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO (JP) 2015-09-09 EP disclosed