SCHEMBL17029057

SCHEMBL17029057

O=[N+]([O-])c1ccccc1-c1ccc2cc3c4ccccc4c4ccccc4n3c2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ TDP1 Q9NUW8 3/20 0.45
▸ HPRT1 P00492 1/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ GUSB P08236 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ C1R P00736 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ CFTR P13569 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ TSHR P16473 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
SCHEMBL16050101 0.90 ALDH1A1 (0.43) ALDH1A1TDP1HPRT1KMT2AMEN1
SCHEMBL17029039 0.90 ALDH1A1 (0.45) ALDH1A1TDP1HPRT1KMT2AMEN1
SCHEMBL20569360 0.81 TDP1 (0.46) ALDH1A1TDP1HPRT1KMT2AMEN1
SCHEMBL16066438 0.80 KMT2A (0.52) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL17029044 0.80 TDP1 (0.44) ALDH1A1TDP1HPRT1KMT2AMEN1
SCHEMBL17033929 0.78 KMT2A (0.45) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL24161835 0.78 ALDH1A1 (0.46) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL17029060 0.78 ALDH1A1 (0.46) ALDH1A1TDP1HPRT1KMT2AMEN1
SCHEMBL16067073 0.77 KMT2A (0.52) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL17029040 0.77 HSD11B1 (0.38) KMT2AMEN1MAPTPOLBLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 — — WO disclosed
WO-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 — — WO disclosed
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