SCHEMBL17692131

SCHEMBL17692131

c1ccc2c(c1)ccc1c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPRT1 P00492 4/20 0.48
GPR3 P46089 1/20 0.48
HSD17B10 Q99714 2/20 0.45
CYP1B1 Q16678 2/20 0.45
HIF1A Q16665 1/20 0.45
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NQO1 P15559 1/20 0.40
NQO2 P16083 1/20 0.40
CYP1A2 P05177 2/20 0.38
ERBB2 P04626 1/20 0.38
FYN P06241 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL20698494 0.98 ALDH1A1 (0.47) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL27026481 0.95 ALDH1A1 (0.47) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL24307102 0.89 ALDH1A1 (0.45) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL15945892 0.88 GPR3 (0.47) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL26448350 0.88 ALDH1A1 (0.41) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL18996043 0.87 ALDH1A1 (0.44) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19106716 0.87 ALDH1A1 (0.46) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL27026495 0.87 GPR3 (0.45) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL8780627 0.87 ALDH1A1 (0.52) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL24473005 0.87 ALDH1A1 (0.41) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2

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 3 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-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