SCHEMBL18201530

SCHEMBL18201530

c1ccc2c(Nc3ccc4oc5c6ccccc6ccc5c4c3)cccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.49
ALDH1A1 P00352 4/20 0.49
CDC25B P30305 2/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
ATM Q13315 1/20 0.49
DUSP3 P51452 1/20 0.45
RAB9A P51151 2/20 0.44
MAPK14 Q16539 2/20 0.43
EPHX2 P34913 1/20 0.40
DHFR P00374 1/20 0.40
MAPT P10636 4/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 5/20 0.39

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
SCHEMBL17382559 0.86 ALDH1A1 (0.47) FADS1ALDH1A1CDC25BHPGDTSHR
SCHEMBL23168502 0.86 ALDH1A1 (0.49) ALDH1A1HPGDTSHRHSD17B10TP53
SCHEMBL18471178 0.86 ALDH1A1 (0.49) ALDH1A1CDC25BHPGDTSHRHSD17B10
SCHEMBL14295752 0.85 FADS1 (0.58) FADS1ALDH1A1CDC25BHPGDTSHR
SCHEMBL24826942 0.85 MAPK14 (0.48) FADS1ALDH1A1CDC25BHPGDTSHR
SCHEMBL17382502 0.85 ALDH1A1 (0.40) FADS1ALDH1A1CDC25BHPGDTSHR
SCHEMBL23007950 0.83 ALDH1A1 (0.51) FADS1ALDH1A1CDC25BHPGDTSHR
SCHEMBL23281186 0.82 CYP1A1 (0.45) ALDH1A1HPGDTSHRHSD17B10TP53
SCHEMBL25606952 0.81 DUSP3 (0.55) FADS1ALDH1A1CDC25BHPGDTSHR
SCHEMBL24155416 0.81 MAPK14 (0.36) FADS1ALDH1A1CDC25BHPGDTSHR

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-20220416174-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2022-12-29 US disclosed
WO-2016175533-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2016-11-03 WO disclosed