SCHEMBL3217539

C[n+]1c(-c2ccc(C=O)cc2)sc2ccc(Cl)cc21.C[n+]1c(-c2ccc(C=O)cc2)sc2ccc(Cl)cc21.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc2c(c1)N(C)C(c1ccc(C=O)cc1)S2.Cc1ccc2c(c1)N(C)C(c1ccc(C=O)cc1)S2.O=S(=O)([O-])c1ccccc1

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

CHRM1 CHRM2 CHRM3 CHRM4 CHRM5 SLC6A2 dacA dacB dacC ftsI mrcA mrcB mrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL3214133	0.81	APP (0.41)	—
SCHEMBL3643981	0.80	APP (0.42)	—
SCHEMBL5067726	0.79	APP (0.40)	—
SCHEMBL5716206	0.77	APP (0.38)	—
SCHEMBL7049507	0.74	SMN1; SMN2 (0.45)	—
SCHEMBL5322319	0.73	INSR (0.32)	—
SCHEMBL4625857	0.71	ALOX5 (0.41)	—
SCHEMBL2028698	0.71	INSR (0.47)	—
SCHEMBL3746575	0.70	HSD17B10 (0.40)	—
SCHEMBL4625707	0.68	SNCA (0.50)	—

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
US-20100037909-A1	SUBSTANCES FOR DYEING KERATINOUS FIBERS	HENKEL AG & CO. KGAA (DE)	2010-02-18	—	—	US	disclosed