SCHEMBL16223222

SCHEMBL16223222

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 5/20 0.57
▸ TDP1 Q9NUW8 5/20 0.57
▸ APEX1 P27695 4/20 0.57
▸ MCL1 Q07820 3/20 0.57
▸ DNMT1 P26358 3/20 0.57
▸ NSD2 O96028 2/20 0.57
▸ MAPT P10636 5/20 0.50
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ HTT P42858 3/20 0.50
▸ POLB P06746 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ PKM P14618 3/20 0.48
▸ CACNA1B Q00975 2/20 0.48
▸ APBA1 Q02410 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ CA12 O43570 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL16229912 0.88 MAPT (0.46) RECQLTDP1APEX1MCL1DNMT1
SCHEMBL16223148 0.85 TDP1 (0.58) RECQLTDP1APEX1MCL1DNMT1
SCHEMBL16223359 0.85 MAPT (0.63) RECQLTDP1APEX1MCL1DNMT1
SCHEMBL16223317 0.84 MCHR1 (0.47) RECQLTDP1APEX1MCL1DNMT1
SCHEMBL16223191 0.84 MCHR1 (0.47) RECQLTDP1APEX1MCL1DNMT1
Hydrochloric Acid SCHEMBL16245570 0.83 MAPT (0.61) RECQLTDP1APEX1MCL1DNMT1
SCHEMBL16223221 0.83 MEN1 (0.53) RECQLTDP1APEX1MCL1DNMT1
SCHEMBL16223194 0.82 MAPT (0.50) RECQLTDP1MCL1DNMT1NSD2
SCHEMBL16245627 0.82 MAPT (0.50) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL16245908 0.82 ITGA4 (0.52) RECQLTDP1MCL1NSD2MAPT

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 3 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
EP-2801573-A1 Hydantoine derivatives as CD38 inhibitors SANOFI (FR) 2014-11-12 — — EP disclosed
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