SCHEMBL14489453

SCHEMBL14489453

c1ccc2cc(-c3c4ccccc4c(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c4ccccc34)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.38
▸ ESR2 Q92731 2/20 0.38
▸ GSTP1 P09211 1/20 0.38
▸ ALOX5 P09917 2/20 0.38
▸ PDE9A O76083 1/20 0.37
▸ HSD17B1 P14061 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ IKBKB O14920 1/20 0.36
▸ GPR84 Q9NQS5 1/20 0.35
▸ NISCH Q9Y2I1 1/20 0.35
▸ ACMSD Q8TDX5 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
SCHEMBL13405625 0.95 GPR84 (0.36) ESR1ESR2GSTP1ALOX5PDE9A
SCHEMBL22670875 0.92 GSTP1 (0.37) ESR1ESR2GSTP1ALOX5PDE9A
SCHEMBL2451884 0.90 ALDH1A1 (0.35) ESR1ESR2ALOX5PDE9ACYP1A2
SCHEMBL29444853 0.90 ALDH1A1 (0.35) ESR1ESR2ALOX5PDE9ACYP1A2
SCHEMBL14489483 0.90 ESR1 (0.40) ESR1ESR2GSTP1ALOX5PDE9A
SCHEMBL4651048 0.90 GPR84 (0.38) ESR1ESR2GSTP1ALOX5PDE9A
SCHEMBL12323516 0.90 GPR84 (0.35) ESR1ESR2GSTP1ALOX5PDE9A
SCHEMBL12323512 0.90 GPR84 (0.35) ESR1ESR2GSTP1ALOX5PDE9A
SCHEMBL14464137 0.89 ESR1 (0.41) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL9612355 0.88 ALDH1A1 (0.38) ESR1ESR2GSTP1ALOX5PDE9A

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-20070141393-A1 Amino anthracene compounds in OLED devices EASTMAN KODAK COMPANY 2007-06-21 — — US disclosed
US-20070141393-A1 Amino anthracene compounds in OLED devices EASTMAN KODAK COMPANY 2007-06-21 — — US disclosed
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