SCHEMBL25035512

SCHEMBL25035512

O=C(Nc1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2)Nc1c[nH]c2ccc(-c3cncc(Cl)c3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
USP2 O75604 3/20 0.42
HTT P42858 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
TP53 P04637 3/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 3/20 0.39
WNT1 P04628 1/20 0.39
DYRK1A Q13627 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL30191244 1.00 MAPT (0.42) MAPTLMNASMN1; SMN2USP2HTT
SCHEMBL29256232 0.93 USP2 (0.43) MAPTLMNASMN1; SMN2USP2HTT
SCHEMBL30191192 0.93 USP2 (0.43) MAPTLMNASMN1; SMN2USP2HTT
SCHEMBL30191364 0.93 USP2 (0.43) MAPTLMNASMN1; SMN2USP2HTT
SCHEMBL25035507 0.93 USP2 (0.43) MAPTLMNASMN1; SMN2USP2HTT
SCHEMBL25035504 0.91 USP2 (0.49) MAPTLMNASMN1; SMN2USP2HTT
SCHEMBL30191353 0.91 USP2 (0.49) MAPTLMNASMN1; SMN2USP2HTT
SCHEMBL25037315 0.90 USP2 (0.44) MAPTLMNASMN1; SMN2USP2HTT
SCHEMBL30191271 0.90 USP2 (0.44) MAPTLMNASMN1; SMN2USP2HTT
SCHEMBL30191468 0.90 USP2 (0.42) MAPTLMNASMN1; SMN2USP2HTT

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