SCHEMBL28617359

SCHEMBL28617359

Cc1nn2c(c1C(=O)O)NCC2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PLAT P00750 1/20 0.34
▸ POLB P06746 3/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ RIPK2 O43353 1/20 0.30
▸ LCK P06239 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ TGFBR1 P36897 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
SCHEMBL28616211 0.76 PLAT (0.38) PLATLMNA
SCHEMBL28792087 0.73 PLAT (0.35) PLATPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL3979902 0.67 BTK (0.34) PLATPOLBMEN1KMT2A
SCHEMBL18740108 0.67 PLAT (0.36) PLATLMNARIPK2LCKKDR
SCHEMBL18209768 0.65 ALOX5 (0.48) —
SCHEMBL21130895 0.64 PDE4D (0.41) PLATCYP1A2TDP1L3MBTL1LMNA
SCHEMBL22102662 0.63 — —
SCHEMBL20748895 0.62 TLR9 (0.42) TGFBR1
SCHEMBL20691669 0.60 MAPK1 (0.37) POLBMEN1KMT2ATDP1L3MBTL1
SCHEMBL1335845 0.59 KDM4E (0.60) POLBCYP1A2CYP2C9CYP2C19MEN1

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-108473497-B EP4 antagonists 卫材R&D 管理有限公司 2021-09-10 — — CN disclosed
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