SCHEMBL17691815

SCHEMBL17691815

c1ccc(-c2ccc3c(ccc4cc(-c5cccc6ncsc56)ccc43)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.39
RIPK2 O43353 2/20 0.38
EGFR P00533 1/20 0.38
KDR P35968 1/20 0.38
TGFBR1 P36897 1/20 0.38
BACE1 P56817 1/20 0.37
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
HSD17B1 P14061 2/20 0.37
HSD17B2 P37059 2/20 0.37
ERN1 O75460 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
RIPK3 Q9Y572 1/20 0.36
DHFR P00374 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL17691846 0.93 ERN1 (0.40) ACVR1BACE1HSD17B1HSD17B2ERN1
SCHEMBL17691870 0.90 ERN1 (0.39) ACVR1ERN1CYP1A2CYP3A4ALDH1A1
SCHEMBL17231486 0.88 ACVR1 (0.39) ACVR1RIPK2EGFRKDRTGFBR1
SCHEMBL17691991 0.85 RIPK2 (0.36) ACVR1RIPK2EGFRKDRTGFBR1
SCHEMBL29966580 0.84 BACE1 (0.45) RIPK2EGFRKDRTGFBR1BACE1
SCHEMBL9196002 0.84 BACE1 (0.45) RIPK2EGFRKDRTGFBR1BACE1
SCHEMBL17231472 0.81 ALDH1A1 (0.38) ACVR1RIPK2EGFRKDRTGFBR1
SCHEMBL17231497 0.81 ALDH1A1 (0.38) ACVR1RIPK2EGFRKDRTGFBR1
SCHEMBL11516596 0.81 ALDH1A1 (0.45) ACVR1CYP1A2ALDH1A1HSD17B10LIMK1
SCHEMBL20698111 0.78 ERN1 (0.33) ACVR1ERN1CYP1A2ALDH1A1HSD17B10

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-10826000-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2020-11-03 US disclosed
US-20190036043-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-01-31 US disclosed
US-20160111664-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed
US-20160111664-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed