SCHEMBL25037515

SCHEMBL25037515

O=C(Nc1ccc2c(c1)N(Cc1ccccn1)C(=O)CS2)Nc1c[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
MAPK1 P28482 4/20 0.50
LMNA P02545 4/20 0.50
USP2 O75604 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
STING1 Q86WV6 11/20 0.46
ALDH1A1 P00352 3/20 0.42
HBB P68871 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
GAA P10253 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
SCHEMBL30191357 1.00 MAPT (0.50) MAPTMAPK1LMNAUSP2SMN1; SMN2
SCHEMBL25037517 0.88 STING1 (0.46) MAPTMAPK1LMNAUSP2SMN1; SMN2
SCHEMBL30191932 0.88 STING1 (0.46) MAPTMAPK1LMNAUSP2SMN1; SMN2
SCHEMBL29979063 0.87 STING1 (0.49) MAPTLMNASMN1; SMN2HTTSTING1
SCHEMBL25138317 0.87 STING1 (0.49) MAPTLMNASMN1; SMN2HTTSTING1
SCHEMBL25037521 0.85 USP2 (0.55) MAPTMAPK1LMNAUSP2SMN1; SMN2
SCHEMBL30191212 0.85 USP2 (0.55) MAPTMAPK1LMNAUSP2SMN1; SMN2
SCHEMBL25037514 0.84 STING1 (0.51) MAPTSMN1; SMN2HTTTSHRSTING1
SCHEMBL30191392 0.84 STING1 (0.51) MAPTSMN1; SMN2HTTTSHRSTING1
SCHEMBL25035503 0.83 STING1 (0.44) MAPTMAPK1LMNAUSP2SMN1; 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