SCHEMBL18914941

SCHEMBL18914941

C/C=C\C=C(/C)n1ncc2c(-c3ccc4ccc5ccccc5c4c3)c([N+](=O)[O-])ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ MEN1 O00255 5/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ ALDH1A1 P00352 4/20 0.31
▸ MAPT P10636 3/20 0.31
▸ HPGD P15428 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ MPI P34949 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ ERN1 O75460 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ CASP6 P55212 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
SCHEMBL18914940 0.70 HPRT1 (0.43) HPRT1MEN1KMT2AALDH1A1MAPT
SCHEMBL15461985 0.64 ABCG2 (0.38) HPRT1MEN1KMT2AALDH1A1MAPT
SCHEMBL29311792 0.64 ALDH1A1 (0.43) HPRT1MEN1KMT2AALDH1A1MAPT
SCHEMBL15461996 0.64 NQO2 (0.39) HPRT1MEN1KMT2AALDH1A1MAPT
SCHEMBL27791239 0.62 ALDH1A1 (0.50) HPRT1MEN1KMT2AALDH1A1MAPT
SCHEMBL15462005 0.62 HPRT1 (0.44) HPRT1MEN1KMT2AALDH1A1MAPT
SCHEMBL6241864 0.62 ALDH1A1 (0.56) HPRT1MEN1KMT2AALDH1A1MAPT
SCHEMBL18915463 0.61 HPRT1 (0.39) HPRT1KMT2AALDH1A1MAPTHPGD
SCHEMBL15821435 0.61 HPRT1 (0.57) HPRT1MEN1KMT2AALDH1A1MAPT
SCHEMBL15811002 0.61 HPRT1 (0.41) HPRT1MEN1KMT2AALDH1A1MAPT

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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