SCHEMBL20033073

SCHEMBL20033073

c1ccc2c(Nc3ccc(-c4cccc5ccccc45)c4ccccc34)cccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.57
ALDH1A1 P00352 3/20 0.57
CDC25B P30305 2/20 0.57
TSHR P16473 2/20 0.57
CYP3A4 P08684 2/20 0.57
TP53 P04637 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
ATM Q13315 1/20 0.57
FADS1 O60427 1/20 0.47
KDM4E B2RXH2 4/20 0.47
GAA P10253 3/20 0.47
MAPT P10636 3/20 0.47
RECQL P46063 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 1/20 0.47
RAB9A P51151 2/20 0.46
EPHX2 P34913 1/20 0.45

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
SCHEMBL29893314 0.90 HSD17B10 (0.59) HSD17B10ALDH1A1CDC25BTSHRCYP3A4
SCHEMBL29104454 0.90 HSD17B10 (0.59) HSD17B10ALDH1A1CDC25BTSHRCYP3A4
SCHEMBL24550973 0.88 ALDH1A1 (0.49) HSD17B10ALDH1A1CDC25BTSHRCYP3A4
SCHEMBL27012250 0.86 HPRT1 (0.54) HSD17B10ALDH1A1CDC25BTSHRCYP3A4
SCHEMBL11899575 0.86 HSD17B10 (0.43) HSD17B10ALDH1A1CDC25BTSHRCYP3A4
SCHEMBL30332497 0.85 ALDH1A1 (0.52) HSD17B10ALDH1A1CDC25BTSHRCYP3A4
SCHEMBL28937735 0.85 ALDH1A1 (0.52) HSD17B10ALDH1A1CDC25BTSHRCYP3A4
SCHEMBL49213 0.85 HSD17B10 (0.74) HSD17B10ALDH1A1CDC25BTSHRCYP3A4
SCHEMBL22925205 0.85 CDC25B (0.69) HSD17B10ALDH1A1CDC25BTSHRCYP3A4
SCHEMBL12476377 0.85 HSD17B10 (0.58) HSD17B10ALDH1A1CDC25BTSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938287-B1 Blue fluorescence dopant compound and organic electroluminescent device using the same NANJING TOPTO MATERIALS CO.,LTD. (CN) 2018-04-10 US disclosed
US-9938287-B1 Blue fluorescence dopant compound and organic electroluminescent device using the same NANJING TOPTO MATERIALS CO.,LTD. (CN) 2018-04-10 US disclosed