SCHEMBL17329324

SCHEMBL17329324

CC(O)c1cccc2nc(N)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.42
▸ MASP2 O00187 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ NUDT1 P36639 1/20 0.42
▸ AOC3 Q16853 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ QTRT1 Q9BXR0 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.35
▸ PLAU P00749 1/20 0.34
▸ TYMS P04818 5/20 0.33
▸ FABP6 P51161 2/20 0.33
▸ MLKL Q8NB16 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ ABL1 P00519 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
SCHEMBL13524890 0.86 MASP2 (0.44) KMT2AMASP2MEN1ALDH1A1NUDT1
SCHEMBL11687448 0.80 KMT2A (0.38) KMT2AMEN1KDM4EGAAATM
SCHEMBL8564912 0.77 PARP1 (0.39) KMT2AMASP2MEN1ALDH1A1NUDT1
SCHEMBL8864413 0.73 TP53 (0.35) KMT2AMASP2MEN1ALDH1A1NUDT1
SCHEMBL727229 0.73 ALDH1A1 (0.48) KMT2AMASP2MEN1ALDH1A1NUDT1
SCHEMBL21708401 0.73 ALDH1A1 (0.48) KMT2AMASP2MEN1ALDH1A1NUDT1
SCHEMBL18340943 0.72 ALDH1A1 (0.44) KMT2AMASP2MEN1ALDH1A1NUDT1
SCHEMBL3287768 0.72 ALDH1A1 (0.52) KMT2AMASP2MEN1ALDH1A1NUDT1
SCHEMBL6748982 0.72 NPC1 (0.52) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL1193117 0.70 MEN1 (0.42) KMT2AMASP2MEN1ALDH1A1NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180319955-A1 RUBBER COMPOSITION, AND PNEUMATIC TIRE USING SAME BRIDGESTONE CORPORATION (JP) 2018-11-08 — — US disclosed
US-10053553-B2 Rubber composition, and pneumatic tire using same BRIDGESTONE CORPORATION (JP) 2018-08-21 — — US disclosed
EP-2960284-B1 RUBBER COMPOSITION, AND PNEUMATIC TIRE USING SAME BRIDGESTONE CORP (JP) 2018-08-01 — — EP disclosed
EP-2960284-A1 RUBBER COMPOSITION, AND PNEUMATIC TIRE USING SAME Bridgestone Corporation (JP) 2015-12-30 — — EP disclosed
US-20150361248-A1 RUBBER COMPOSITION, AND PNEUMATIC TIRE USING SAME OTSUKA CHEMICAL CO., LTD. (JP) 2015-12-17 — — US disclosed
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