SCHEMBL29612929

SCHEMBL29612929

CCOC(=O)c1nccnn1.O=C(NCc1ccccc1)c1nccnn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ MAPT P10636 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ NAMPT P43490 1/20 0.46
▸ PPID Q08752 1/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ EPHX2 P34913 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ SLC26A6 Q9BXS9 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL29808051 0.87 KMT2A (0.55) SMN1; SMN2KMT2AGAA
SCHEMBL23521924 0.87 KMT2A (0.55) SMN1; SMN2KMT2AGAA
SCHEMBL29819690 0.81 KMT2A (0.61) SMN1; SMN2MAPTKDM4ENAMPTKMT2A
SCHEMBL23521860 0.81 KMT2A (0.61) SMN1; SMN2MAPTKDM4ENAMPTKMT2A
SCHEMBL16651751 0.80 CYP1A2 (0.42) KDM4EHPGDCYP1A2CYP3A4
SCHEMBL30555050 0.80 CYP1A2 (0.42) KDM4EHPGDCYP1A2CYP3A4
SCHEMBL23521923 0.78 MMP13 (0.60) SMN1; SMN2KDM4EKMT2AHPGDPPARG
SCHEMBL30592138 0.78 MMP13 (0.60) SMN1; SMN2KDM4EKMT2AHPGDPPARG
SCHEMBL29537243 0.76 SMN1; SMN2 (0.57) SMN1; SMN2CYP3A4GAA
SCHEMBL28675585 0.76 SMN1; SMN2 (0.57) SMN1; SMN2CYP3A4GAA

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
WO-2022124341-A1 NOVEL PEPTIDOMIMETIC COMPOUND AND DESIGN 株式会社大分大学先端医学研究所 2022-06-16 — — WO disclosed
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