SCHEMBL31435451

SCHEMBL31435451

O=C(O)c1cc2ccc(F)cc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.59
GPR35 Q9HC97 3/20 0.55
BCKDK O14874 1/20 0.46
CHRNA7 P36544 2/20 0.46
HTR3A P46098 2/20 0.46
TBXAS1 P24557 1/20 0.46
PTPN2 P17706 2/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
PLK4 O00444 1/20 0.43
AURKA O14965 1/20 0.43

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
SCHEMBL153935 1.00 BCL2L1 (0.59) BCL2L1GPR35BCKDKCHRNA7HTR3A
SCHEMBL14562910 0.87 HSD17B1 (0.49) BCL2L1GPR35BCKDKCHRNA7HTR3A
SCHEMBL2897390 0.85 BCL2L1 (0.59) BCL2L1GPR35CHRNA7HTR3ATBXAS1
SCHEMBL29742282 0.85 BCL2L1 (0.59) BCL2L1GPR35CHRNA7HTR3ATBXAS1
SCHEMBL3064054 0.84 CHRNA7 (0.45) BCL2L1GPR35BCKDKCHRNA7HTR3A
SCHEMBL155481 0.83 HDAC1 (0.56) CHRNA7HTR3APTPN2HDAC1HDAC3
SCHEMBL24139094 0.80 GSK3B (0.45) BCL2L1CHRNA7HTR3AHDAC1HDAC3
SCHEMBL15697571 0.79 GPR35 (0.61) BCL2L1GPR35TBXAS1HDAC1HDAC3
SCHEMBL8250577 0.79 BCL2L1 (0.61) BCL2L1GPR35TBXAS1PTPN2HDAC1
SCHEMBL1090344 0.78 BCL2L1 (0.59) BCL2L1GPR35CHRNA7HTR3ATBXAS1

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-119301127-A 6-Oxo-decahydro pyrrolo [1,2-a ] [1,5] diazocine and 6-oxo-decahydro-4H-pyrrolo [2,1-d ] [1,5] thiaazacine derivatives as modulators of STAT3 and STAT6 for the treatment of cancer and inflammatory conditions 瑞克鲁迪克斯制药股份有限公司 2025-01-10 CN disclosed