SCHEMBL3908390

SCHEMBL3908390

COc1cc([N+](=O)[O-])ccc1-c1cc2ccccc2[nH]c1=O.Nc1ccccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.40
▸ MAPT P10636 5/20 0.39
▸ RECQL P46063 1/20 0.39
▸ DUSP3 P51452 1/20 0.39
▸ PTPN5 P54829 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ AMY1A P0DUB6 3/20 0.38
▸ ERN1 O75460 1/20 0.38
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PARP1 P09874 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
SCHEMBL3130132 0.88 HTT (0.46) HTTTDP1MAPTAMY1AMEN1
SCHEMBL7532104 0.70 KDM4E (0.65) MAPTMEN1KMT2ANPC1POLB
SCHEMBL8987068 0.68 KDR (0.54) MAPTMEN1KMT2ANPC1POLB
SCHEMBL3136890 0.67 XDH (0.56) HTTMAPTMEN1KMT2APOLB
SCHEMBL286441 0.66 ERN1 (0.62) HTTTDP1MAPTERN1ALDH1A1
SCHEMBL30320420 0.66 ERN1 (0.62) HTTTDP1MAPTERN1ALDH1A1
SCHEMBL31444686 0.66 GRIA1 (0.55) HTTTDP1MAPTAMY1APOLB
SCHEMBL3135299 0.66 HTT (0.45) HTTTDP1MAPTRECQLMEN1
SCHEMBL3680545 0.66 HTT (0.50) HTTTDP1MAPTRECQLDUSP3
SCHEMBL222283 0.65 HTT (1.00) HTTTDP1MAPTRECQLDUSP3

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
EP-2021333-A2 ANTI-PROLIFERATIVE COMPOUNDS DERIVING FROM A 3-ARYL-COUMARINE OR 3-ARYL-QUINOLIN-2-ONE AND USES THEREOF EOS - Ethical Oncology Science S.p.A. (IT) 2009-02-11 — — EP disclosed
WO-2007135565-A2 ANTI-PROLIFERATIVE COMPOUNDS DERIVING FROM A 3-ARYL-COUMARINE OR 3-ARYL-QUINOLIN-2-ONE AND USES THEREOF EOS (ETHICAL ONCOLOGY SCIENCE) S.P.A. (IT) 2007-11-29 — — WO disclosed
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