SCHEMBL17427693

SCHEMBL17427693

c1ccc(-c2ccnc(-c3ccc4ccc5c(-c6ccc7ccccc7c6)ccc6ccc3c4c65)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.41
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
SIRT2 Q8IXJ6 2/20 0.40
MAPKAPK2 P49137 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
HTR2B P41595 1/20 0.38
HTR5A P47898 1/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
GSTP1 P09211 1/20 0.37
GSK3B P49841 1/20 0.37
DHFR P00374 1/20 0.37

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
SCHEMBL14849182 0.90 PLAU (0.41) PIK3CACYP19A1ADORA2APLGPLAU
SCHEMBL17427675 0.89 PRKDC (0.41) PIK3CASIRT2PLGPLAUKDM4E
SCHEMBL12345129 0.84 TGFBR1 (0.47) PIK3CAADORA2AMAPKAPK2KDM4EALDH1A1
SCHEMBL17427688 0.83 KDM4E (0.49) CYP17A1CYP19A1CYP11B1CYP11B2ADORA2A
SCHEMBL19825214 0.81 PRKDC (0.44) PIK3CAPLGPLAUPRKDCHSD17B1
SCHEMBL28136196 0.80 CYP1A1 (0.53) CYP17A1CYP19A1CYP11B1CYP11B2SIRT2
SCHEMBL24728748 0.80 ESR1 (0.52) CYP17A1CYP19A1CYP11B1CYP11B2ESR1
SCHEMBL17427687 0.80 KDM4E (0.48) CYP19A1ADORA2AADORA1SIRT2CYP1A1
SCHEMBL3687907 0.80 GSTP1 (0.55) CYP17A1CYP19A1CYP11B1CYP11B2ADORA2A
SCHEMBL3792915 0.80 GSTP1 (0.55) CYP17A1CYP19A1CYP11B1CYP11B2ADORA2A

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