SCHEMBL18915040

SCHEMBL18915040

O=[N+]([O-])c1ccc2c(c1-c1cccc3c(-c4ccccc4)cc4ccccc4c13)CNN2c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ AR P10275 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CASP6 P55212 1/20 0.31
▸ FBP1 P09467 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ ABCG2 Q9UNQ0 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
SCHEMBL18915458 0.82 HPRT1 (0.42) TDP1ALDH1A1GAAMEN1KMT2A
SCHEMBL18915041 0.74 NPC1 (0.40) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL18915032 0.63 MEN1 (0.38) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL16940537 0.60 GABRA1 (0.41) ALDH1A1GAASMN1; SMN2LMNA
SCHEMBL17286886 0.60 ALDH1A1 (0.43) TDP1ALDH1A1CDK2MEN1KMT2A
SCHEMBL14867804 0.60 ALDH1A1 (0.53) TDP1ALDH1A1CDK2MEN1KMT2A
SCHEMBL6241864 0.60 ALDH1A1 (0.56) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL22945697 0.60 ALDH1A1 (0.67) TDP1ALDH1A1GAAMEN1KMT2A
SCHEMBL17742484 0.59 ALDH1A1 (0.60) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL9444834 0.59 TDP1 (0.71) TDP1ALDH1A1MEN1KMT2AMAPT

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-2017090901-A1 ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2017-06-01 — — WO disclosed
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