SCHEMBL30209644

SCHEMBL30209644

COc1cccc2ccc(C=CC(N)=O)nc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 16/20 0.60
▸ MAPT P10636 5/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ HPGD P15428 3/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ GLA P06280 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ MEN1 O00255 14/20 0.52
▸ NPC1 O15118 8/20 0.52
▸ RAB9A P51151 6/20 0.52
▸ MCHR1 Q99705 1/20 0.51
▸ ECE2 P0DPD6 1/20 0.51
▸ AGTR1 P30556 3/20 0.50
▸ POLB P06746 2/20 0.49
▸ LMNA P02545 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ TP53 P04637 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ GAA P10253 1/20 0.45

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
SCHEMBL7513556 0.87 KMT2A (0.62) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL7513553 0.87 KMT2A (0.62) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL12066587 0.87 KMT2A (0.62) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL29694483 0.77 MCHR1 (0.57) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL1915239 0.77 MCHR1 (0.57) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL27470619 0.75 KMT2A (0.68) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL19076207 0.75 KMT2A (0.68) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL28006537 0.75 PIM1 (0.61) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL15023717 0.74 PDE10A (0.66) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL15023715 0.74 PDE10A (0.66) KMT2AMAPTALDH1A1HPGDKDM4E

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
CN-115745898-A Aromatic acrylamide-triazole compound, and preparation method and application thereof 许昌学院 2023-03-07 — — CN disclosed
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