SCHEMBL18202037

SCHEMBL18202037

CCc1ccccc1-c1cc2c(ccc3ccccc32)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ ATM Q13315 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GPR3 P46089 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATR Q13535 1/20 0.38
▸ CCNT1 O60563 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ DHFR P00374 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL18201975 0.83 ALOX5AP (0.37) ALOX5APFEN1ATMNPC1ALDH1A1
SCHEMBL3127751 0.83 NPC1 (0.57) ALOX5APFEN1NPC1TRPA1KDM4E
SCHEMBL13169242 0.81 ALDH1A1 (0.47) NPC1ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL13863582 0.80 ALDH1A1 (0.49) ALOX5APFEN1NPC1ALDH1A1HIF1A
SCHEMBL30063855 0.78 ALDH1A1 (0.52) NPC1ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL18202015 0.76 CYP11B1 (0.47) ATMNPC1ALDH1A1HIF1ACYP1B1
SCHEMBL18201976 0.73 MAPT (0.42) ATMNPC1ALDH1A1HIF1ACYP1B1
SCHEMBL13169220 0.73 NPC1 (0.54) NPC1ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL18201998 0.72 NPC1 (0.45) ALOX5APFEN1ATMNPC1ALDH1A1
SCHEMBL18202000 0.71 HPRT1 (0.39) NPC1ALDH1A1HIF1ACYP1B1HSD17B10

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
EP-2217607-B1 ORGANIC METAL COMPLEX, AND ORGANIC LIGHT EMITTING DEVICE AND DISPLAY APPARATUS USING THE SAME CANON KK (JP) 2016-11-02 — — EP disclosed
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