SCHEMBL28288703

SCHEMBL28288703

NCc1ccccc1Nc1ccc2c(c1Nc1ccccc1CN)C(=O)c1ccccc1C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.47
▸ MAPT P10636 7/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MAPK1 P28482 8/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ EGFR P00533 1/20 0.43
▸ PABPC1 P11940 1/20 0.43
▸ P2RY2 P41231 1/20 0.43
▸ P2RY4 P51582 1/20 0.43
▸ GNG2 P59768 1/20 0.41
▸ GNB1 P62873 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ MAOA P21397 3/20 0.41
▸ MAOB P27338 1/20 0.41
▸ BPTF Q12830 1/20 0.40
▸ KAT2B Q92831 1/20 0.40

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
SCHEMBL11331367 0.83 CYP1A2 (0.64) CYP1A2MAPTMEN1KMT2AMAPK1
SCHEMBL11806463 0.76 DHODH (0.52) CYP1A2MAPTMEN1KMT2AMAPK1
SCHEMBL10733814 0.75 MAPT (0.68) CYP1A2MAPTMEN1KMT2AMAPK1
SCHEMBL16424117 0.74 ADORA2A (0.57) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL28879262 0.74 SMN1; SMN2 (0.49) CYP1A2MAPTMEN1KMT2AMAPK1
SCHEMBL11816027 0.74 MAPT (0.45) CYP1A2MAPTMEN1KMT2AMAPK1
SCHEMBL258906 0.74 BPTF (0.50) MAPTSMN1; SMN2RAB9ABPTFKAT2B
SCHEMBL11809911 0.72 MAPT (0.43) CYP1A2MAPTMEN1KMT2AMAPK1
SCHEMBL14860870 0.72 P2RY2 (0.61) CYP1A2MAPTMEN1KMT2AMAPK1
SCHEMBL6131236 0.72 MAPT (0.58) CYP1A2MAPTMEN1KMT2AMAPK1

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
CN-109666134-A Polyester fondant and preparation method thereof 营口康辉石化有限公司 2019-04-23 — — CN claimed
CN-109666134-A Polyester fondant and preparation method thereof 营口康辉石化有限公司 2019-04-23 — — CN disclosed
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