SCHEMBL30842988

SCHEMBL30842988

Cc1c(C(=O)N(C)c2ccnnc2)cnn1C(C)C(C#N)CCCl

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL28562143 0.89 OXTR (0.35) —
SCHEMBL16973433 0.81 KMT2A (0.40) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16973435 0.80 KMT2A (0.38) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16973453 0.79 KMT2A (0.41) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL20788678 0.78 KMT2A (0.35) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL29284677 0.78 KMT2A (0.37) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL20788679 0.77 KMT2A (0.35) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL19768896 0.77 KMT2A (0.38) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16973305 0.76 KMT2A (0.36) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16973298 0.74 KMT2A (0.38) KMT2AMEN1NPC1RAB9AL3MBTL1

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-114080155-B Shear stable composition for spray drift control 巴斯夫欧洲公司 2024-03-26 — — CN disclosed
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