SCHEMBL19850325

SCHEMBL19850325

Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2C(=O)N(c2ccccc2-c2ccccc2)C3O)n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ PTGER4 P35408 15/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ PKM P14618 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ TYMS P04818 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ STAT3 P40763 1/20 0.31
▸ STAT1 P42224 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
SCHEMBL19842680 0.93 MEN1 (0.35) MEN1KMT2AATMPTGER4NPC1
SCHEMBL19843606 0.88 TSPO (0.32) MEN1KMT2AATMTYMS
SCHEMBL19842360 0.88 KMT2A (0.39) MEN1KMT2AATMNPC1PKM
SCHEMBL19850327 0.86 COMT (0.32) MEN1KMT2AATMPTGER4TYMS
SCHEMBL19843258 0.86 MEN1 (0.31) MEN1KMT2AATM
SCHEMBL19850265 0.85 MEN1 (0.35) MEN1KMT2AATMNPC1PKM
SCHEMBL19850267 0.85 MEN1 (0.33) MEN1KMT2AATMTYMS
SCHEMBL19842363 0.85 MEN1 (0.41) MEN1KMT2AATMNPC1PKM
SCHEMBL19850033 0.85 MEN1 (0.41) MEN1KMT2AATMNPC1PKM
SCHEMBL19843472 0.84 MEN1 (0.34) MEN1KMT2AATMTYMS

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-2018024725-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-08 — — WO disclosed
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