SCHEMBL29137732

SCHEMBL29137732

COC(=O)C(C)c1cnc(Cl)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
MT-CO2 P00403 1/20 0.38
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
MEN1 O00255 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL29137729 0.81 APP (0.46) MAPK1KMT2AMEN1LMNAMAPT
SCHEMBL1747739 0.81 POLB (0.43) PTGS1PTGS2HPGDMAPK1MT-CO2
SCHEMBL27832415 0.80 FFAR2 (0.33) MAPK1KMT2AL3MBTL1LMNAMAPT
SCHEMBL30768172 0.79 PTGS2 (0.42) PTGS1PTGS2HPGDMAPK1KMT2A
SCHEMBL10666788 0.75 MT-CO2 (0.46) PTGS1PTGS2HPGDMT-CO2KMT2A
SCHEMBL6640497 0.75 KMT2A (0.49) HPGDMAPK1KMT2AL3MBTL1MEN1
SCHEMBL21373757 0.75 MAPK1 (0.37) MAPK1MT-CO2KMT2AL3MBTL1MEN1
SCHEMBL25295103 0.74 HPGD (0.41) PTGS1PTGS2HPGDMT-CO2KMT2A
SCHEMBL12844717 0.74 HPGD (0.41) PTGS1PTGS2HPGDMT-CO2KMT2A
SCHEMBL30489970 0.74 HPGD (0.41) PTGS1PTGS2HPGDMT-CO2KMT2A

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
CN-117384153-A Methyltransferase inhibitors and uses thereof 上海赛岚生物科技有限公司 2024-01-12 CN disclosed