SCHEMBL14285083

SCHEMBL14285083

COc1cccc(-c2c3cc(c(-c4cccc(OC)c4)c4ccc([nH]4)c(-c4cccc(OC)c4)c4nc(c(-c5cccc(OC)c5)c5ccc2[nH]5)C=C4)N=C3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ VDR P11473 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2B6 P20813 1/20 0.40
▸ AHR P35869 1/20 0.40
▸ NR1I3 Q14994 1/20 0.40
▸ TERT O14746 4/20 0.39
▸ MAPK13 O15264 1/20 0.38
▸ RAF1 P04049 1/20 0.38
▸ MAPK12 P53778 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL433807 0.87 TERT (0.49) NR1I2CYP1A2VDRCYP2C9CYP2B6
SCHEMBL30081962 0.87 TERT (0.49) NR1I2CYP1A2VDRCYP2C9CYP2B6
SCHEMBL14285065 0.83 STAT3 (0.50) TERTTOP1
SCHEMBL14285084 0.82 TOP1 (0.39) TERTMAPK13RAF1MAPK12MAPK11
SCHEMBL13907391 0.80 STAT3 (0.50) TERTABCG2TOP1
SCHEMBL17687648 0.80 TERT (0.43) NR1I2CYP1A2VDRCYP2C9CYP2B6
SCHEMBL14703823 0.78 ADORA2A (0.43) TERTMAPK13RAF1MAPK12MAPK11
SCHEMBL14703874 0.77 TERT (0.41) NR1I2CYP1A2VDRCYP2C9CYP2B6
SCHEMBL17687652 0.75 STAT3 (0.57) NR1I2CYP1A2VDRCYP2C9CYP2B6
SCHEMBL498495 0.74 TERT (0.51) TERTKDM4EMEN1MAPTKMT2A

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-7319147-B2 Porphyrins and related compounds BIOSCIENCE TECHNOLOGY INVESTMENT HOLDINGS LIMITED (MY) 2008-01-15 — — US disclosed
US-7319147-B2 Porphyrins and related compounds BIOSCIENCE TECHNOLOGY INVESTMENT HOLDINGS LIMITED (MY) 2008-01-15 — — US disclosed
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