SCHEMBL19987948

SCHEMBL19987948

CN1CN(N2CN(C)c3c2n(C)c(=O)[nH]c3=O)c2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.41
▸ GFER P55789 1/20 0.36
▸ DAO P14920 1/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ ADORA2B P29275 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ KDM1A O60341 1/20 0.30
▸ YTHDF2 Q9Y5A9 1/20 0.30

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
SCHEMBL28735867 0.87 EPHX2 (0.34) EPHX2GFER
SCHEMBL29148112 0.86 EPHX2 (0.42) EPHX2GFERDAOADORA2AADORA2B
SCHEMBL28302805 0.81 EPHX2 (0.39) EPHX2GFERDAOCYP3A4MAPK1
SCHEMBL11294427 0.80 EPHX2 (0.38) EPHX2GFERDAOCYP3A4MAPK1
SCHEMBL6421931 0.78 KDM1A (0.39) EPHX2GFERADORA2AADORA2BMAPK1
SCHEMBL11293666 0.75 KDM4E (0.36) EPHX2GFERDAOALDH1A1NPSR1
SCHEMBL538937 0.74 PMP22 (0.51) ADORA2AADORA2BCYP3A4MAPK1PMP22
SCHEMBL9151741 0.73 — —
SCHEMBL5085666 0.73 MAPK10 (0.44) MAPK1ALDH1A1NPSR1MAPTHPGD
SCHEMBL8570025 0.73 EPHX2 (0.33) EPHX2GFERALDH1A1KDM4EMAPT

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-3299010-A1 ORAL DOSAGE FORM LTS Lohmann Therapie-Systeme AG (DE) 2018-03-28 — — EP disclosed
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