SCHEMBL28699700

SCHEMBL28699700

COC(=O)CC(N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(-n2nc(C)cc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
USP30 Q70CQ3 6/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
BRD4 O60885 2/20 0.39
TP53 P04637 2/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
HPGDS O60760 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PARP1 P09874 1/20 0.37

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
SCHEMBL28699688 0.89 ITGAV (0.39) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL28699743 0.82 STS (0.49) MAPTUSP30BRD4TP53POLB
SCHEMBL28698405 0.80 SMYD3 (0.41) MAPTALDH1A1L3MBTL1
SCHEMBL28709399 0.80 SMYD3 (0.41) MAPTALDH1A1L3MBTL1
SCHEMBL28699817 0.78 LMNA (0.41) MAPTLMNAALDH1A1
SCHEMBL28696950 0.78 TP53 (0.42) MAPTMEN1KMT2AGPR119TP53
SCHEMBL24036831 0.76 HPGD (0.39) MAPTTP53POLBALDH1A1L3MBTL1
SCHEMBL30474591 0.76 MAPT (0.39) MAPTUSP30MEN1KMT2AGPR119
SCHEMBL30474534 0.75 USP30 (0.42) MAPTUSP30MEN1KMT2AGPR119
SCHEMBL24036983 0.74 MAPT (0.38) MAPTMEN1KMT2APOLBALDH1A1

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-113354635-A Pyrrolidine integrin regulator and application thereof 清药同创(北京)药物研发中心有限公司 2021-09-07 CN disclosed