SCHEMBL19918060

SCHEMBL19918060

Cn1[nH]c(CSc2ccccc2)cc1=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.75
▸ MAPT P10636 5/20 0.75
▸ GAA P10253 5/20 0.75
▸ MEN1 O00255 4/20 0.75
▸ L3MBTL1 Q9Y468 4/20 0.75
▸ ALDH1A1 P00352 3/20 0.75
▸ KDM4E B2RXH2 3/20 0.75
▸ POLB P06746 3/20 0.75
▸ THRB P10828 2/20 0.75
▸ TDP1 Q9NUW8 1/20 0.73
▸ CXCR2 P25025 3/20 0.49
▸ RECQL P46063 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ CYB5R3 P00387 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ USP2 O75604 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ ELANE P08246 1/20 0.40
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 2/20 0.39

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
SCHEMBL12297404 0.84 KMT2A (1.00) KMT2AMAPTGAAMEN1L3MBTL1
SCHEMBL12297412 0.84 KMT2A (0.72) KMT2AMAPTGAAMEN1L3MBTL1
SCHEMBL12297426 0.79 KMT2A (0.76) KMT2AMAPTGAAMEN1L3MBTL1
SCHEMBL12297443 0.74 KMT2A (0.64) KMT2AMAPTGAAMEN1L3MBTL1
SCHEMBL20830150 0.74 KDM4E (0.47) KMT2AMAPTGAAMEN1L3MBTL1
SCHEMBL20830314 0.73 KMT2A (0.46) KMT2AMAPTGAAMEN1L3MBTL1
SCHEMBL20830170 0.72 KDM4C (0.51) KMT2AMAPTGAAMEN1L3MBTL1
SCHEMBL20819200 0.72 KMT2A (0.51) KMT2AMAPTGAAMEN1L3MBTL1
SCHEMBL20830154 0.71 KMT2A (0.41) KMT2AMAPTGAAMEN1L3MBTL1
SCHEMBL19918062 0.71 KDM5A (0.51) KMT2AMAPTGAAMEN1L3MBTL1

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-2367798-B1 PYRAZOLONE DERIVATIVES USEFUL IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV NORTHWESTERN (US) 2018-02-28 — — EP disclosed
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