SCHEMBL8317311

SCHEMBL8317311

CCN(CC)Cc1nc2sc3c(c2c(-c2ccc(OC)c(OC)c2)c1C(=O)O)CCN(S(=O)(=O)c1ccccc1)C3

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 8/20 0.47
▸ MKNK1 Q9BUB5 5/20 0.38
▸ AKR1C3 P42330 2/20 0.38
▸ MAPT P10636 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ UBE2N P61088 1/20 0.36

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
SCHEMBL7688280 0.93 P2RX3 (0.45) P2RX3MKNK1
SCHEMBL7491371 0.87 HTR1A (0.42) P2RX3MAPTNPSR1
SCHEMBL7490401 0.86 NT5E (0.46) MAPT
SCHEMBL7489710 0.85 KMT2A (0.42) P2RX3
SCHEMBL7687913 0.84 ACHE (0.43) P2RX3
SCHEMBL7491349 0.81 ACHE (0.38) MAPT
SCHEMBL7490236 0.80 CACNB4 (0.37) —
SCHEMBL7684028 0.79 CACNB4 (0.42) MAPTSMN1; SMN2NPSR1
SCHEMBL7487295 0.79 LMNA (0.52) MAPTSMN1; SMN2
SCHEMBL7489303 0.79 CACNB4 (0.45) MAPTNPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900223-A1 THIENOPYRIDINE DERIVATIVES AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 1999-03-10 — — EP disclosed
WO-1997040050-A1 THIENOPYRIDINE DERIVATIVES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 — — WO disclosed
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