SCHEMBL16223181

SCHEMBL16223181

O=C(NC1CCCC1)c1ccc(N2C(=O)N/C(=C\c3ccncc3)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.49
▸ NAMPT P43490 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ GFER P55789 1/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMYD3 Q9H7B4 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
SCHEMBL16223159 0.99 KMT2A (0.51) KMT2ANAMPTALDH1A1GAAGFER
SCHEMBL16223204 0.96 RAB9A (0.43) KMT2ANAMPTALDH1A1GAAGFER
SCHEMBL16223222 0.80 RECQL (0.57) KMT2AALDH1A1NPC1RAB9AHPGD
SCHEMBL16229912 0.79 MAPT (0.46) KMT2AALDH1A1GAANPC1RAB9A
SCHEMBL16223221 0.78 MEN1 (0.53) KMT2ANAMPTALDH1A1GAAHPGD
SCHEMBL16223199 0.76 HPGD (0.48) KMT2AALDH1A1GAANPC1RAB9A
SCHEMBL16223209 0.74 MAPT (0.47) KMT2ANAMPTALDH1A1HPGDSMN1; SMN2
SCHEMBL16223594 0.74 ITGA4 (0.53) KMT2AALDH1A1GAANPC1RAB9A
SCHEMBL16223180 0.73 NPC1 (0.58) KMT2ANAMPTALDH1A1GAANPC1
SCHEMBL16223194 0.73 MAPT (0.50) KMT2AALDH1A1GAANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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