SCHEMBL29256227

SCHEMBL29256227

O=C(Nc1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2)Nc1c[nH]c2ccc(-c3cccc(C(F)(F)F)c3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 1/20 0.42
▸ MAPT P10636 7/20 0.40
▸ HTT P42858 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ USP2 O75604 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ UBE2M P61081 2/20 0.39
▸ DCUN1D1 Q96GG9 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ CLK1 P49759 1/20 0.38

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
SCHEMBL29256216 0.90 MAPT (0.42) MAPTHTTSMN1; SMN2MEN1OPRM1
SCHEMBL30191265 0.90 STING1 (0.44) STING1MAPTHTTSMN1; SMN2MEN1
SCHEMBL25035501 0.90 STING1 (0.44) STING1MAPTHTTSMN1; SMN2MEN1
SCHEMBL30191379 0.89 MAPT (0.44) MAPTHTTSMN1; SMN2MEN1OPRM1
SCHEMBL29256211 0.89 MAPT (0.44) MAPTHTTSMN1; SMN2MEN1OPRM1
SCHEMBL29256226 0.88 MAPT (0.42) STING1MAPTHTTSMN1; SMN2MEN1
SCHEMBL29256219 0.88 CCR3 (0.41) MAPTHTTSMN1; SMN2MEN1OPRM1
SCHEMBL30191448 0.87 MAPT (0.53) MAPTHTTSMN1; SMN2MEN1OPRM1
SCHEMBL25035510 0.87 MAPT (0.53) MAPTHTTSMN1; SMN2MEN1OPRM1
SCHEMBL29256208 0.87 MAPT (0.41) MAPTHTTSMN1; SMN2MEN1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384267-A1 SMALL MOLECULE STING ANTAGONISTS Curadev Pharma Pvt. Ltd. (IN) 2024-06-19 — — EP claimed
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 claimed
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