SCHEMBL16768528

SCHEMBL16768528

c1ccc2c(-c3sc(-c4cccc5ccccc45)c4c5ccncc5c5cnccc5c34)cccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.49
TGFBR1 P36897 1/20 0.42
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL16768521 0.80 ALOX5 (0.42) TNFIKBKETBK1KDM4EMAPT
SCHEMBL1102541 0.75 TNF (0.56) TNFIKBKETBK1KDM4EMAPT
SCHEMBL1103691 0.75 TNF (0.56) TNFIKBKETBK1KDM4EMAPT
SCHEMBL16768527 0.75 TNF (0.43) TNFKDM4EMAPTALDH1A1HPGD
SCHEMBL1102699 0.75 TNF (0.45) TNFIKBKETBK1KDM4EMAPT
SCHEMBL16768519 0.74 CYP11B1 (0.49) TNFKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL1102905 0.74 TNF (0.47) TNFIKBKETBK1KDM4EMAPT
SCHEMBL1102907 0.73 TNF (0.54) TNFIKBKETBK1KDM4EMAPT
SCHEMBL1102706 0.72 TNF (0.53) TNFIKBKETBK1KDM4EMAPT
SCHEMBL16768526 0.72 NOTUM (0.42) TNFKDM4EMAPTALDH1A1HPGD

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-9666809-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-30 US disclosed
US-9666809-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-30 US disclosed
US-20150155497-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-04 US disclosed
US-20150155497-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-04 US disclosed