SCHEMBL25037517

SCHEMBL25037517

O=C(Nc1ccc2c(c1)N(Cc1ccncc1)C(=O)CS2)Nc1c[nH]c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 11/20 0.46
USP2 O75604 3/20 0.46
MAPT P10636 4/20 0.45
HTT P42858 3/20 0.45
MAPK1 P28482 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
MEN1 O00255 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL30191932 1.00 STING1 (0.46) STING1USP2MAPTHTTMAPK1
SCHEMBL25138317 0.93 STING1 (0.49) STING1MAPTHTTSMN1; SMN2LMNA
SCHEMBL29979063 0.93 STING1 (0.49) STING1MAPTHTTSMN1; SMN2LMNA
SCHEMBL30191212 0.91 USP2 (0.55) STING1USP2MAPTHTTMAPK1
SCHEMBL25037521 0.91 USP2 (0.55) STING1USP2MAPTHTTMAPK1
SCHEMBL25035498 0.90 USP2 (0.48) USP2MAPTHTTMAPK1SMN1; SMN2
SCHEMBL30191019 0.90 USP2 (0.48) USP2MAPTHTTMAPK1SMN1; SMN2
SCHEMBL25035492 0.90 USP2 (0.48) USP2MAPTHTTMAPK1SMN1; SMN2
SCHEMBL30191383 0.90 USP2 (0.48) USP2MAPTHTTMAPK1SMN1; SMN2
SCHEMBL25037315 0.89 USP2 (0.44) USP2MAPTHTTMAPK1SMN1; SMN2

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