SCHEMBL10449050

SCHEMBL10449050

CC(C)c1nc(-c2ccccc2)nc(O)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ HTT P42858 1/20 0.46
▸ ADORA2A P29274 8/20 0.46
▸ ADORA1 P30542 7/20 0.46
▸ ADORA3 P0DMS8 6/20 0.46
▸ ADORA2B P29275 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NTSR1 P30989 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ GCGR P47871 1/20 0.39
▸ RXRA P19793 2/20 0.38

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
SCHEMBL27633313 0.78 DPP4 (0.53) KMT2AMEN1HTTADORA2AADORA1
SCHEMBL18764319 0.72 RXRA (0.57) KMT2AMEN1HTTL3MBTL1TSHR
SCHEMBL13798093 0.71 HTT (0.59) KMT2AMEN1HTTL3MBTL1MAPT
SCHEMBL9124822 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1375058 0.71 L3MBTL1 (0.58) KMT2AMEN1HTTADORA2AADORA1
SCHEMBL21177243 0.70 SMN1; SMN2 (0.44) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL7502445 0.69 LMNA (0.54) KMT2AMEN1HTTADORA2AADORA1
SCHEMBL20888279 0.69 HTT (0.50) KMT2AMEN1HTTADORA2AADORA1
SCHEMBL27350479 0.69 L3MBTL1 (0.43) KMT2AMEN1HTTADORA2AADORA1
SCHEMBL17694643 0.69 L3MBTL1 (0.54) KMT2AMEN1HTTADORA2AADORA1

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-0357554-A2 Complex metal compounds CIBA-GEIGY AG (CH) 1990-03-07 — — EP claimed
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