SCHEMBL8040949

SCHEMBL8040949

COc1cccc(Cc2nc(Cc3cccc(OC)c3)nc(-c3ccc(C=Cc4ccc(-c5nc(Cc6cccc(OC)c6)nc(Cc6cccc(OC)c6)n5)cc4)cc3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RELA Q04206 1/20 0.47
▸ LTA4H P09960 1/20 0.45
▸ HTR6 P50406 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ DHFR P00374 1/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ CYP1A1 P04798 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.42
▸ CHRM2 P08172 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ HTR1B P28222 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41

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
SCHEMBL6763922 0.79 CLK4 (0.56) RELANFE2L2CYP19A1ADORA1CYP1A1
SCHEMBL4330910 0.72 L3MBTL1 (0.51) LTA4HHTR6MEN1LMNATSHR
SCHEMBL2099512 0.71 CHRM2 (0.66) LTA4HCHRM2CHRM1CHRM3HTR1B
SCHEMBL8956304 0.70 RELA (0.56) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL8992998 0.68 NPC1 (0.54) LTA4HCHRM2CHRM1CHRM3HDAC3
SCHEMBL19789053 0.67 KMT2A (0.50) LTA4HHTR6CYP1A2ABCG2MEN1
SCHEMBL23383679 0.67 CLK4 (0.65) RELACYP19A1ADORA1CYP1A2PDGFRB
SCHEMBL18355946 0.67 MAOB (0.67) CHRM2CHRM1CHRM3HTR1BIDO1
SCHEMBL2876289 0.67 XDH (0.64) RELACYP1A1CYP1A2CYP1B1PDGFRB
SCHEMBL13088187 0.67 HTR6 (0.47) LTA4HHTR6DHFRADORA1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057048-A Electroluminescent (EL) devices XEROX CORPORATION (US) 2000-05-02 — — US disclosed
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