SCHEMBL25037387

SCHEMBL25037387

O=C(Nc1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2)Nc1c[nH]c2ccc(-c3ccc4c(c3)OCO4)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.43
▸ MAPT P10636 7/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ POLB P06746 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL30191025 1.00 ALOX15 (0.43) ALOX15MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL29256226 0.87 MAPT (0.42) ALOX15MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL29256216 0.87 MAPT (0.42) ALOX15MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL25037315 0.87 USP2 (0.44) ALOX15MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL30191271 0.87 USP2 (0.44) ALOX15MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL30191468 0.87 USP2 (0.42) MAPTSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL25035507 0.87 USP2 (0.43) ALOX15MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL29256223 0.87 USP2 (0.42) MAPTSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL30191379 0.87 MAPT (0.44) ALOX15MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL29256211 0.87 MAPT (0.44) ALOX15MAPTSMN1; SMN2ALDH1A1KMT2A

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
CN-118159535-A Small molecule STING antagonists 库拉德夫制药私人有限公司 2024-06-07 — — CN claimed
WO-2023017451-A1 SMALL MOLECULE STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2023-02-16 — — WO disclosed
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