SCHEMBL30191088

SCHEMBL30191088

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 2/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 7/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL25035500 1.00 STING1 (0.46) STING1TSHRMAPTMEN1KMT2A
SCHEMBL25035511 0.93 MAPT (0.46) STING1TSHRMAPTMEN1KMT2A
SCHEMBL30191378 0.93 MAPT (0.46) STING1TSHRMAPTMEN1KMT2A
SCHEMBL29256226 0.91 MAPT (0.42) STING1TSHRMAPTMEN1KMT2A
SCHEMBL30191084 0.91 MAPT (0.49) STING1MAPTMEN1KMT2AALDH1A1
SCHEMBL25035493 0.91 MAPT (0.49) STING1MAPTMEN1KMT2AALDH1A1
SCHEMBL25138317 0.91 STING1 (0.49) STING1MAPTMEN1KMT2AALDH1A1
SCHEMBL29979063 0.91 STING1 (0.49) STING1MAPTMEN1KMT2AALDH1A1
SCHEMBL25037496 0.90 STING1 (0.46) STING1TSHRMAPTMEN1KMT2A
SCHEMBL30191334 0.90 STING1 (0.46) STING1TSHRMAPTMEN1KMT2A

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 6 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
EP-4384267-A1 SMALL MOLECULE STING ANTAGONISTS Curadev Pharma Pvt. Ltd. (IN) 2024-06-19 EP disclosed
CN-118159535-A Small molecule STING antagonists 库拉德夫制药私人有限公司 2024-06-07 CN disclosed
WO-2023017451-A1 SMALL MOLECULE STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2023-02-16 WO disclosed