SCHEMBL20656228

SCHEMBL20656228

C=C/C(=C\C=C/C)Cn1cnc2c1C(=O)N(CCCOC1CCCCO1)C(O)N2

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL20656186 0.76 MEN1 (0.33) MEN1KMT2A
SCHEMBL20656028 0.70 CNOT7 (0.36) MEN1KMT2A
SCHEMBL20656191 0.69 CNOT7 (0.38) MEN1KMT2A
SCHEMBL22105453 0.63 MEN1 (0.35) MEN1KMT2A
SCHEMBL24095615 0.62 ALDH1A1 (0.39) MEN1KMT2A
SCHEMBL11920854 0.59 KMT2A (0.46) MEN1KMT2A
SCHEMBL29832042 0.59 TGFBR1 (0.56) MEN1KMT2A
SCHEMBL9180510 0.57 MEN1 (0.35) MEN1KMT2A
SCHEMBL9576472 0.56 MEN1 (0.43) MEN1KMT2A
SCHEMBL21667996 0.56 MEN1 (0.43) MEN1KMT2A

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
WO-2019011802-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-01-17 — — WO disclosed
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