SCHEMBL15943000

SCHEMBL15943000

CCCCOc1ccc(C(C)=O)cc1N=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ HPGD P15428 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ FAAH O00519 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SMPD1 P17405 3/20 0.42

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
SCHEMBL10497745 0.83 KMT2A (0.55) CREBBPL3MBTL1SMN1; SMN2GAAKMT2A
SCHEMBL12966511 0.80 THRA (0.58) CREBBPL3MBTL1SMN1; SMN2GAA
SCHEMBL8265731 0.80 CREBBP (0.50) CREBBPL3MBTL1SMN1; SMN2GAAHPGD
SCHEMBL10260429 0.79 KMT2A (0.66) HPGDLMNARAB9AFAAHKMT2A
SCHEMBL6588516 0.79 SMPD1 (0.64) FAAHKMT2ASMPD1
SCHEMBL8393532 0.79 THRA (0.59) CREBBPL3MBTL1SMN1; SMN2GAAHPGD
SCHEMBL14469762 0.79 CREBBP (0.49) CREBBPL3MBTL1SMN1; SMN2GAAHPGD
SCHEMBL13219861 0.78 ALDH1A1 (0.51) CREBBPL3MBTL1SMN1; SMN2GAAHPGD
SCHEMBL6200527 0.78 PTPN11 (0.63) CREBBPHPGDALDH1A1
SCHEMBL14667298 0.78 SMN1; SMN2 (0.56) CREBBPL3MBTL1SMN1; SMN2GAAALDH1A1

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-2764866-A1 Inhibitors of nedd8-activating enzyme IP Gesellschaft für Management mbH (DE) 2014-08-13 — — EP disclosed
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