SCHEMBL18202000

SCHEMBL18202000

C=Cc1ccccc1-c1cc2c(ccc3c4ccccc4ccc23)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 3/20 0.39
▸ NPC1 O15118 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GPR3 P46089 1/20 0.37
▸ ATR Q13535 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 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
SCHEMBL18202022 0.80 FEN1 (0.36) NPC1MEN1KMT2AMAPTL3MBTL1
SCHEMBL30063855 0.79 ALDH1A1 (0.52) HPRT1NPC1ALDH1A1HSD17B10HIF1A
SCHEMBL13169242 0.79 ALDH1A1 (0.47) HPRT1NPC1ALDH1A1HSD17B10HIF1A
SCHEMBL5888918 0.77 HPRT1 (0.52) HPRT1ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL13863582 0.75 ALDH1A1 (0.49) NPC1ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL8758617 0.74 ALDH1A1 (0.45) HPRT1NPC1ALDH1A1HSD17B10HIF1A
SCHEMBL8758630 0.73 ALDH1A1 (0.44) HPRT1ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL18201932 0.72 L3MBTL1 (0.44) HPRT1NPC1ALDH1A1HSD17B10HIF1A
SCHEMBL13863872 0.72 MAOA (0.37) NPC1ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL8759108 0.72 ALDH1A1 (0.46) HPRT1ALDH1A1HSD17B10HIF1ACYP1B1

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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