SCHEMBL30368441

Cc1ccc(S(=O)(=O)O)c(-c2cc(-c3cc(C)ccc3S(=O)(=O)O)c(C(=O)N3CCc4cc(CN(C)C)ccc4C3)c(OCC3CCCCC3)c2C)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	QRFPR	Q96P65	8/20	0.42

▸	KCNH2	Q12809	2/20	0.39

▸	CYP2D6	P10635	1/20	0.38

▸	KCNE1	P15382	1/20	0.38

▸	SCN5A	Q14524	1/20	0.38

▸	ACACB	O00763	4/20	0.35

▸	CNR1	P21554	1/20	0.34

▸	LMNA	P02545	2/20	0.34

▸	HPGD	P15428	2/20	0.34

▸	F10	P00742	2/20	0.34

▸	ALDH1A1	P00352	1/20	0.34

▸	HTT	P42858	1/20	0.34

▸	MOGAT2	Q3SYC2	2/20	0.33

▸	NPSR1	Q6W5P4	1/20	0.33

▸	RORC	P51449	1/20	0.33

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
SCHEMBL30368421	0.86	HSP90AA1 (0.40)	ACACBCNR1F10MOGAT2
SCHEMBL30368298	0.82	HSP90AA1 (0.42)	ACACBCNR1F10
SCHEMBL30301554	0.81	QRFPR (0.48)	QRFPRKCNH2CYP2D6KCNE1SCN5A
SCHEMBL25214972	0.80	QRFPR (0.42)	QRFPRKCNH2CYP2D6KCNE1SCN5A
SCHEMBL30970487	0.77	CCNA2 (0.34)	CNR1
SCHEMBL30970483	0.77	CCNA2 (0.34)	CNR1
SCHEMBL30970495	0.75	F2 (0.35)	CNR1ALDH1A1HTTNPSR1
SCHEMBL30957997	0.75	AVPR1B (0.34)	ACACB
SCHEMBL30368417	0.74	HSP90AA1 (0.44)	CYP2D6ALDH1A1
SCHEMBL30368050	0.74	HSP90AA1 (0.46)	LMNAALDH1A1

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-115996907-A	Inhibitors of MLH1 and/or PMS2 for cancer treatment	奈奥芬莱有限公司	2023-04-21	—	—	CN	disclosed