SCHEMBL31704041

SCHEMBL31704041

O=C(NCc1cccc[n+]1[O-])c1csc(-c2ccc(C3CC3)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TLR7 Q9NYK1 5/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ USP30 Q70CQ3 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ PDE2A O00408 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NPY1R P25929 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL31703947 0.88 HPGD (0.57) ACKR3CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL31704087 0.87 TLR7 (0.56) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL31703726 0.86 TLR7 (0.56) ACKR3CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL31703958 0.86 TLR7 (0.60) ACKR3CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL31703699 0.83 TLR7 (0.47) ACKR3CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL31703796 0.83 TLR7 (0.59) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL31703738 0.82 TLR7 (0.48) ACKR3CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL31704046 0.82 MAPT (0.52) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL31703844 0.82 TLR7 (0.56) ACKR3CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL31703733 0.81 LMNA (0.44) CYP1A2CYP3A4CYP2C9HPGDCYP2C19

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
WO-2025215450-A1 THIAZOLE COMPOUNDS AS SODIUM CHANNEL BLOCKERS SK BIOPHARMACEUTICALS CO., LTD. (KR) 2025-10-16 — — WO claimed
WO-2025215450-A1 THIAZOLE COMPOUNDS AS SODIUM CHANNEL BLOCKERS SK BIOPHARMACEUTICALS CO., LTD. (KR) 2025-10-16 — — WO disclosed
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