SCHEMBL25035492

SCHEMBL25035492

O=C(Nc1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2)Nc1c[nH]c2cnccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.48
MAPT P10636 8/20 0.43
LMNA P02545 4/20 0.43
HTT P42858 4/20 0.43
TP53 P04637 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 3/20 0.42
MEN1 O00255 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL30191383 1.00 USP2 (0.48) USP2MAPTLMNAHTTTP53
SCHEMBL25035498 0.94 USP2 (0.48) USP2MAPTLMNAHTTTP53
SCHEMBL30191019 0.94 USP2 (0.48) USP2MAPTLMNAHTTTP53
SCHEMBL30191932 0.90 STING1 (0.46) USP2MAPTLMNAHTTTP53
SCHEMBL25037517 0.90 STING1 (0.46) USP2MAPTLMNAHTTTP53
SCHEMBL25138317 0.90 STING1 (0.49) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL29979063 0.90 STING1 (0.49) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL25037521 0.90 USP2 (0.55) USP2MAPTLMNAHTTTP53
SCHEMBL30191212 0.90 USP2 (0.55) USP2MAPTLMNAHTTTP53
SCHEMBL25037315 0.88 USP2 (0.44) USP2MAPTLMNAHTTTP53

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