SCHEMBL13019658

SCHEMBL13019658

Cc1cc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)c(C)c2)ccc1N(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.37
HSD17B2 P37059 2/20 0.37
TNKS2 Q9H2K2 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
BRD4 O60885 1/20 0.36
HPGD P15428 1/20 0.36
ALOX5 P09917 1/20 0.35
GAA P10253 1/20 0.34
APP P05067 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL2542279 1.00 HSD17B1 (0.37) HSD17B1HSD17B2TNKS2ALDH1A1MAPT
SCHEMBL12463091 0.98 ALDH1A1 (0.39) HSD17B1HSD17B2TNKS2ALDH1A1MAPT
SCHEMBL15870796 0.98 HSD17B1 (0.38) HSD17B1HSD17B2TNKS2ALDH1A1MAPT
SCHEMBL19341526 0.98 HSD17B1 (0.38) HSD17B1HSD17B2TNKS2ALDH1A1MAPT
SCHEMBL2545914 0.98 HSD17B1 (0.38) HSD17B1HSD17B2TNKS2ALDH1A1MAPT
SCHEMBL8638695 0.98 ALDH1A1 (0.38) HSD17B1HSD17B2TNKS2ALDH1A1MAPT
SCHEMBL12533881 0.98 HSD17B1 (0.38) HSD17B1HSD17B2TNKS2ALDH1A1MAPT
SCHEMBL12593254 0.96 ALDH1A1 (0.38) HSD17B1HSD17B2TNKS2ALDH1A1MAPT
SCHEMBL14106797 0.96 ALDH1A1 (0.41) HSD17B1HSD17B2TNKS2ALDH1A1MAPT
SCHEMBL8642454 0.96 ALDH1A1 (0.41) HSD17B1HSD17B2TNKS2ALDH1A1MAPT

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-2262025-A2 Organic electroluminescent device TDK Corporation (JP) 2010-12-15 EP disclosed