SCHEMBL4581526

SCHEMBL4581526

Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccccc4C4=C(c5ccccc5)N4)cc3)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.36
HSD17B2 P37059 4/20 0.36
EPHX1 P07099 2/20 0.34
ENPP3 O14638 1/20 0.34
MAPT P10636 4/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 2/20 0.33
MAOB P27338 1/20 0.33
PDK2 Q15119 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
KDR P35968 1/20 0.32
MEN1 O00255 2/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PGR P06401 1/20 0.32
GPR88 Q9GZN0 1/20 0.31

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
SCHEMBL4578605 0.99 HSD17B1 (0.35) HSD17B1HSD17B2EPHX1ENPP3MAPT
SCHEMBL4579229 0.87 ALDH1A1 (0.38) MAPTKMT2AL3MBTL1MEN1ALDH1A1
SCHEMBL4581858 0.86 ALDH1A1 (0.39) MAPTKMT2AL3MBTL1MEN1ALDH1A1
SCHEMBL1338817 0.83 HSD17B1 (0.47) HSD17B1HSD17B2EPHX1ENPP3MAPT
SCHEMBL17368987 0.83 HSD17B1 (0.47) HSD17B1HSD17B2EPHX1ENPP3MAPT
SCHEMBL2329324 0.83 HSD17B1 (0.47) HSD17B1HSD17B2EPHX1ENPP3MAPT
SCHEMBL1263162 0.83 HSD17B1 (0.47) HSD17B1HSD17B2EPHX1ENPP3MAPT
SCHEMBL22422944 0.83 HSD17B1 (0.47) HSD17B1HSD17B2EPHX1ENPP3MAPT
SCHEMBL3442449 0.83 HSD17B1 (0.47) HSD17B1HSD17B2EPHX1ENPP3MAPT
SCHEMBL2500852 0.83 HSD17B1 (0.47) HSD17B1HSD17B2EPHX1ENPP3MAPT

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
US-7396599-B2 Binuclear organometallic complexes and organic electroluminescent display device using the same SAMSUNG SDI CO., LTD. (KR) 2008-07-08 US disclosed