SCHEMBL19850219

SCHEMBL19850219

Cc1cccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cccc(-c6ccccc6)c4)C5O)c3c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.36
▸ COMT P21964 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ MAPT P10636 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ FFAR2 O15552 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ TYMS P04818 1/20 0.31

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
SCHEMBL19850222 0.97 COMT (0.35) RXFP1COMTKMT2AMEN1ATM
SCHEMBL19850089 0.94 KMT2A (0.36) COMTKMT2AMEN1ATMALDH1A1
SCHEMBL19842890 0.92 COMT (0.34) COMTKMT2AMEN1ATMALDH1A1
SCHEMBL19842834 0.91 KMT2A (0.34) COMTKMT2AMEN1ATMALDH1A1
SCHEMBL19850087 0.91 COMT (0.35) COMTKMT2AMEN1ATMALDH1A1
SCHEMBL19850134 0.91 ALDH1A1 (0.34) RXFP1COMTKMT2AMEN1ATM
SCHEMBL19850025 0.90 KMT2A (0.40) COMTKMT2AMEN1ATMALDH1A1
SCHEMBL19850318 0.89 KMT2A (0.35) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL19850088 0.88 KMT2A (0.36) COMTKMT2AMEN1ATMALDH1A1
SCHEMBL19850038 0.87 MEN1 (0.36) COMTKMT2AMEN1ATMTYMS

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
WO-2018024725-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-08 — — WO disclosed
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