SCHEMBL17427682

SCHEMBL17427682

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4ccc5cccc6ccc3c4c56)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
ERBB2 P04626 1/20 0.44
FYN P06241 1/20 0.44
MAOA P21397 1/20 0.44
ACHE P22303 1/20 0.44
AHR P35869 1/20 0.44
MEN1 O00255 8/20 0.44
KMT2A Q03164 8/20 0.44
ALDH1A1 P00352 7/20 0.44
HPGD P15428 7/20 0.44
MAPT P10636 6/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 2/20 0.44
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
NTSR1 P30989 1/20 0.42

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
SCHEMBL18623349 0.91 ALDH1A1 (0.44) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL19168144 0.90 MAPT (0.50) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL19168187 0.90 MAPT (0.50) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL18623345 0.90 MEN1 (0.54) MAOAMEN1KMT2AALDH1A1HPGD
SCHEMBL19166279 0.90 MAPT (0.40) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL19168485 0.89 MEN1 (0.50) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL17866597 0.89 CYP1A2 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL19167006 0.89 HSD17B10 (0.46) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL19167377 0.88 HSD17B10 (0.45) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL19167004 0.88 MEN1 (0.40) CYP1A2ERBB2FYNMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9401484-B2 Organic light-emitting device having increased electron transport ability of an electron transport region SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-26 US disclosed
US-9401484-B2 Organic light-emitting device having increased electron transport ability of an electron transport region SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-26 US disclosed
US-20160013430-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-14 US disclosed
US-20160013430-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-14 US disclosed