SCHEMBL21780686

SCHEMBL21780686

CC/C=C(/C)c1cc[nH]c1C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.30
NUDT1 P36639 1/20 0.30

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
SCHEMBL22759295 0.73
SCHEMBL21540364 0.72
SCHEMBL22600361 0.69
SCHEMBL23222779 0.69
SCHEMBL19041360 0.67 TSHR (0.31)
SCHEMBL11726611 0.66 KMT2A (0.35) KMT2ANUDT1
SCHEMBL21540370 0.65
SCHEMBL309194 0.65 TSHR (0.42) KMT2A
SCHEMBL1156163 0.65 KMT2A (0.58) KMT2ANUDT1
SCHEMBL9572998 0.64 HPGD (0.42) KMT2A

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
EP-3402781-B1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-03-04 EP disclosed