SCHEMBL8645201

SCHEMBL8645201

N#CC1=C(C#N)NC(c2ccccc2O)N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.50
▸ MEN1 O00255 7/20 0.50
▸ MAPT P10636 6/20 0.50
▸ GAA P10253 5/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ CYP1A2 P05177 3/20 0.50
▸ CYP2D6 P10635 3/20 0.50
▸ CYP2C9 P11712 3/20 0.50
▸ CYP2C19 P33261 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ ALOX15 P16050 2/20 0.50
▸ ALOX12 P18054 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ APP P05067 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ SNCA P37840 1/20 0.50
▸ MCL1 Q07820 1/20 0.50
▸ KDM4E B2RXH2 4/20 0.47

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
SCHEMBL9227199 0.72 MEN1 (0.52) KMT2AMEN1MAPTGAARAB9A
SCHEMBL11230099 0.67 MEN1 (0.47) KMT2AMEN1MAPTGAARAB9A
SCHEMBL14709206 0.67 MEN1 (1.00) KMT2AMEN1MAPTGAARAB9A
SCHEMBL13876845 0.66 TNKS2 (0.66) KMT2AMEN1MAPTGAARAB9A
SCHEMBL4090554 0.66 TNKS2 (0.66) KMT2AMEN1MAPTGAARAB9A
SCHEMBL2046465 0.61 HTR2A (0.47) KMT2AMEN1MAPTGAARAB9A
SCHEMBL7608325 0.61 MEN1 (0.42) KMT2AMEN1MAPTGAARAB9A
SCHEMBL9634391 0.61 KMT2A (0.49) KMT2AMEN1MAPTGAARAB9A
Catechol SCHEMBL28545800 0.61 ALDH1A1 (0.67) KMT2AMEN1MAPTGAARAB9A
SCHEMBL31169126 0.60 ALDH1A1 (0.47) KMT2AMEN1MAPTGAARAB9A

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
US-5712408-A Diaminomaleonitrile derivative compounds, polymers, and method of producing same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1998-01-27 — — US disclosed
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