SCHEMBL27548660

CC(C)(C)OC(=O)N1CCC(CN2CCN(S(=O)(=O)c3ccc(-c4ccc(Cl)cc4)s3)CC2C(=O)C2CN(S(=O)(=O)c3ccc(-c4ccc(Cl)cc4)s3)CCN2CC2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	MMP13	P45452	9/20	0.45

▸	MMP1	P03956	2/20	0.45

▸	KDM4E	B2RXH2	1/20	0.43

▸	MAPT	P10636	1/20	0.43

▸	STS	P08842	4/20	0.42

▸	P2RY14	Q15391	1/20	0.40

▸	NR1D1	P20393	1/20	0.40

▸	CNR1	P21554	1/20	0.39

▸	GPR119	Q8TDV5	1/20	0.39

▸	ACKR3	P25106	1/20	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.

Compound	similarity	top predicted	shared targets
SCHEMBL6893849	0.83	MMP13 (0.46)	MMP13MMP1KDM4EMAPTSTS
SCHEMBL27527619	0.80	MAPT (0.43)	MAPT
SCHEMBL2775887	0.67	STS (0.46)	KDM4EMAPTSTSNR1D1CNR1
SCHEMBL6888393	0.67	POLB (0.52)	KDM4EMAPTGPR119
SCHEMBL4388695	0.66	F10 (0.54)	—
SCHEMBL3155704	0.66	STS (0.56)	KDM4ESTSNR1D1GPR119
SCHEMBL2420724	0.66	SMN1; SMN2 (0.58)	KDM4EMAPTSTS
SCHEMBL6896849	0.66	KDM4E (0.41)	KDM4EMAPTGPR119
SCHEMBL5727730	0.66	MMP13 (0.54)	MMP13MMP1KDM4EMAPTSTS
SCHEMBL3083337	0.66	KDM4E (0.58)	KDM4EMAPTSTSGPR119

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-1290254-A	Sulfonamide derivatives process for producing the same and utilization thereof	TAKEDA CHEMICAL INDUSTRIES LTD (JP)	2001-04-04	—	—	CN	disclosed