SCHEMBL14646909

SCHEMBL14646909

Cc1cccc(-n2cnc(CN)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.55
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ MAPT P10636 6/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CPB2 Q96IY4 2/20 0.46
▸ ALDH1A1 P00352 6/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ IRAK4 Q9NWZ3 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ UBE2N P61088 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41

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
SCHEMBL13990877 0.86 KDM4E (0.56) KDM4EKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL27786917 0.84 KDM4E (0.55) KDM4EKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL8287298 0.83 KDM4E (0.54) KDM4EKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL14481199 0.81 KDM4E (0.51) KDM4EKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL13177332 0.80 KDM4E (0.64) KDM4EKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL14481613 0.80 KDM4E (0.64) KDM4EKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL14551581 0.76 KMT2A (0.63) KDM4EKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL30083563 0.76 CPB2 (0.53) SMN1; SMN2CPB2ALDH1A1TDP1HTT
SCHEMBL13990514 0.73 KDM4E (0.56) KDM4EKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL13341971 0.73 KDM4E (0.56) KDM4EKMT2AMEN1MAPTSMN1; SMN2

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-2548872-A1 CYCLOPROPANECARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-23 — — EP disclosed
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