SCHEMBL28857673

SCHEMBL28857673

COC(=O)c1ccc(CI)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
PPARG P37231 1/20 0.51
NCOA2 Q15596 1/20 0.51
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
HPGD P15428 6/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
ATM Q13315 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
PARP1 P09874 1/20 0.45
TP53 P04637 2/20 0.43
ALDH1A1 P00352 4/20 0.41
MAPT P10636 5/20 0.39
TDP1 Q9NUW8 2/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
HTT P42858 2/20 0.38

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
SCHEMBL11984343 0.83 HPGD (0.56) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL1401544 0.83 LMNA (0.53) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL2162352 0.83 HPGD (0.51) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL1311028 0.81 MRGPRX4 (0.54) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL14114132 0.81 LMNA (0.51) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL14135378 0.81 LMNA (0.51) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL16812822 0.81 MRGPRX4 (0.57) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL348559 0.81 LMNA (0.51) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL1977403 0.81 NPSR1 (0.51) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL13675115 0.80 DAO (0.48) LMNAHPGDMRGPRX4TP53ALDH1A1

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-115160269-A Arylcarboxamide derivatives as positive allosteric modulators of NMDAR 北京大学 2022-10-11 CN disclosed