SCHEMBL17849629

SCHEMBL17849629

c1ccc(N(c2ccc3ccccc3c2)c2ccc3cc(-c4cc5c6c(ccc7cccc(c76)C5(c5ccccc5)c5ccccc5)c4)ccc3c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ ACMSD Q8TDX5 1/20 0.32
▸ CHRNA1 P02708 1/20 0.31
▸ CHRNG P07510 1/20 0.31
▸ CHRNB1 P11230 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ CHRND Q07001 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ LPL P06858 1/20 0.31
▸ LIPG Q9Y5X9 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL17849615 0.93 BACE1 (0.31) HSD17B1HSD17B2ESR1ESR2
SCHEMBL13888819 0.92 — —
SCHEMBL13888824 0.91 CHRNA1 (0.31) HSD17B1HSD17B2CHRNA1CHRNGCHRNB1
SCHEMBL12982612 0.90 RELA (0.36) —
SCHEMBL17849635 0.90 MEN1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL12927693 0.90 ESR1 (0.30) ESR1ESR2
SCHEMBL15316847 0.89 ESR1 (0.35) HSD17B1HSD17B2ACMSDCHRNA1CHRNG
SCHEMBL12927678 0.89 ESR1 (0.31) ESR1ESR2
SCHEMBL13888817 0.88 KDM4E (0.30) ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL13888825 0.88 KDM4E (0.30) ALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371270-B2 Compound for organic light-emitting device and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-21 — — US disclosed
US-9371270-B2 Compound for organic light-emitting device and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-21 — — US disclosed
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