SCHEMBL21515018

SCHEMBL21515018

CCOC(=O)CCCNC(=O)c1ncc([N+](=O)[O-])cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ HPGD P15428 1/20 0.47
▸ RAB9A P51151 2/20 0.45
▸ GLA P06280 1/20 0.44
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALOX15 P16050 1/20 0.39

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
SCHEMBL23030074 0.81 ALDH1A1 (0.50) MAPTKDM4EALDH1A1HPGDGLA
SCHEMBL29231836 0.81 ALDH1A1 (0.50) MAPTKDM4EALDH1A1HPGDGLA
SCHEMBL30550015 0.79 MAPT (0.45) MAPTKDM4ECYP3A4CYP2C19ALDH1A1
SCHEMBL25375277 0.79 MAPT (0.45) MAPTKDM4ECYP3A4CYP2C19ALDH1A1
SCHEMBL21515083 0.79 CYP3A4 (0.48) MAPTKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL30550091 0.78 MAPT (0.44) MAPTKDM4ECYP3A4CYP2C19ALDH1A1
SCHEMBL25371822 0.78 MAPT (0.44) MAPTKDM4ECYP3A4CYP2C19ALDH1A1
SCHEMBL21515048 0.75 SMN1; SMN2 (0.49) MAPTKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL25372139 0.74 MAPT (0.49) MAPTKDM4ECYP3A4CYP2C19ALDH1A1
SCHEMBL30549945 0.74 MAPT (0.49) MAPTKDM4ECYP3A4CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3781554-B1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY THOMAS HELLEDAYS STIFTELSE FOER MEDICINSK FORSKNING (SE) 2023-06-28 — — EP disclosed
WO-2019201991-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2019-10-24 — — WO disclosed
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