SCHEMBL16223221

SCHEMBL16223221

O=C(c1ccc(N2C(=O)N/C(=C\c3ccncc3)C2=O)cc1)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.44
▸ HPGD P15428 4/20 0.44
▸ GAA P10253 1/20 0.44
▸ MCHR1 Q99705 4/20 0.44
▸ NAMPT P43490 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ NSD2 O96028 1/20 0.41
▸ DNMT1 P26358 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL16223209 0.90 MAPT (0.47) MEN1MAPTHTTKMT2AALDH1A1
SCHEMBL16223199 0.88 HPGD (0.48) MEN1MAPTHTTKMT2AALDH1A1
SCHEMBL16223222 0.83 RECQL (0.57) MEN1MAPTHTTKMT2AALDH1A1
SCHEMBL16223180 0.83 NPC1 (0.58) MEN1MAPTHTTKMT2AALDH1A1
SCHEMBL16229912 0.82 MAPT (0.46) MEN1MAPTHTTKMT2AALDH1A1
SCHEMBL16223167 0.82 GAA (0.51) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL16223181 0.78 KMT2A (0.49) MEN1MAPTHTTKMT2AALDH1A1
SCHEMBL16223157 0.78 MEN1 (0.50) MEN1MAPTHTTKMT2AALDH1A1
SCHEMBL16223204 0.78 RAB9A (0.43) MEN1MAPTHTTKMT2AALDH1A1
SCHEMBL16223194 0.76 MAPT (0.50) MEN1MAPTHTTKMT2AALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014180544-A1 HYDANTOINE DERIVATIVES AS CD38 INHIBITORS SANOFI (FR) 2014-11-13 — — WO claimed
EP-2801573-A1 Hydantoine derivatives as CD38 inhibitors SANOFI (FR) 2014-11-12 — — EP claimed
WO-2014180544-A1 HYDANTOINE DERIVATIVES AS CD38 INHIBITORS SANOFI (FR) 2014-11-13 — — WO disclosed
WO-2014180544-A1 HYDANTOINE DERIVATIVES AS CD38 INHIBITORS SANOFI (FR) 2014-11-13 — — WO disclosed
EP-2801573-A1 Hydantoine derivatives as CD38 inhibitors SANOFI (FR) 2014-11-12 — — EP disclosed
EP-2801573-A1 Hydantoine derivatives as CD38 inhibitors SANOFI (FR) 2014-11-12 — — EP disclosed
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