SCHEMBL29256239

SCHEMBL29256239

COC(=O)c1ccc2c(c1)NCC(C)S2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
ALDH1A1 P00352 5/20 0.51
LMNA P02545 2/20 0.51
ALOX15 P16050 5/20 0.49
TSHR P16473 1/20 0.44
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA9 Q16790 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
SCHEMBL28765816 0.77 ALDH1A1 (0.63) HTTALDH1A1LMNAALOX15TSHR
SCHEMBL3570507 0.75 CHRNB2 (0.47) HTTALDH1A1LMNAALOX15HSD17B10
SCHEMBL29256255 0.75 POLB (0.72) HTTALDH1A1LMNAALOX15TSHR
SCHEMBL753087 0.74 ALDH1A1 (0.60) HTTALDH1A1LMNAALOX15TSHR
SCHEMBL29978912 0.74 ALDH1A1 (0.60) HTTALDH1A1LMNAALOX15TSHR
SCHEMBL3328395 0.72 ALDH1A1 (0.58) HTTALDH1A1LMNAALOX15TSHR
SCHEMBL31751225 0.72 ALOX5 (0.49) ALDH1A1LMNAALOX15HSD17B10SMN1; SMN2
SCHEMBL8056884 0.72 ALDH1A1 (0.42) HTTALDH1A1LMNAALOX15HSD17B10
SCHEMBL8362944 0.71 CHRNB2 (0.46) HTTALDH1A1LMNAALOX15HSD17B10
SCHEMBL21905597 0.71 HTT (0.63) HTTALDH1A1LMNAALOX15TSHR

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 3 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 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