SCHEMBL28690119

SCHEMBL28690119

Cc1cc(C)n(-c2cccc(OC(=O)CN)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
ATM Q13315 1/20 0.42
SCN9A Q15858 1/20 0.42
LMNA P02545 1/20 0.41
FTO Q9C0B1 1/20 0.40
KAT6A Q92794 1/20 0.40
DGAT2 Q96PD7 1/20 0.40
MPO P05164 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL28050451 0.85 LMNA (0.54) MAPTPOLBSMN1; SMN2RXFP1L3MBTL1
SCHEMBL2616607 0.77 SMN1; SMN2 (0.52) MAPTPOLBSMN1; SMN2RXFP1L3MBTL1
SCHEMBL11841355 0.75 MAPT (0.53) MAPTPOLBSMN1; SMN2RXFP1L3MBTL1
SCHEMBL20335031 0.75 LMNA (0.65) MAPTPOLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL24036729 0.74 MAPT (0.42) MAPTPOLBSMN1; SMN2RXFP1L3MBTL1
SCHEMBL16140804 0.74 MAPT (0.50) MAPTL3MBTL1TDP1ALDH1A1HPGD
SCHEMBL8338087 0.73 ALDH1A1 (0.69) MAPTPOLBSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL28709251 0.73 KAT6A (0.49) MAPTSMN1; SMN2L3MBTL1TDP1ALDH1A1
SCHEMBL16140868 0.72 L3MBTL1 (0.48) MAPTPOLBSMN1; SMN2RXFP1L3MBTL1
SCHEMBL28709234 0.72 MAPT (0.47) MAPTSMN1; SMN2L3MBTL1TDP1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113354635-B Pyrrolidine integrin regulator and application thereof 清药同创(北京)药物研发中心有限公司 2023-04-18 CN disclosed
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