SCHEMBL24760947

SCHEMBL24760947

CCc1ncc(Br)cc1CBr

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.33
KMT2A Q03164 1/20 0.33
GBA1 P04062 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HSD17B10 Q99714 1/20 0.31
GRM5 P41594 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL4124739 0.85 KMT2A (0.37) HTTKMT2AMAPT
SCHEMBL12514790 0.77 KMT2A (0.46) HTTKMT2AGBA1SMN1; SMN2HSD17B10
SCHEMBL9114926 0.77 AGBL2 (0.41) HTTSMN1; SMN2MAPT
SCHEMBL15080876 0.75 S1PR1 (0.37) HTTKMT2AGBA1SMN1; SMN2HSD17B10
SCHEMBL15699752 0.75 SMN1; SMN2 (0.36) HTTKMT2AGBA1SMN1; SMN2HSD17B10
SCHEMBL15773977 0.74 KMT2A (0.43) HTTKMT2ASMN1; SMN2HSD17B10MAPT
SCHEMBL2069010 0.73 HTT (0.43) HTTKMT2AGBA1SMN1; SMN2HSD17B10
SCHEMBL18179659 0.73 PLAU (0.42) HTTKMT2AGBA1SMN1; SMN2HSD17B10
SCHEMBL16693756 0.73 HTT (0.34) HTTKMT2AGBA1SMN1; SMN2HSD17B10
SCHEMBL23383733 0.73 SMN1; SMN2 (0.37) HTTKMT2AGBA1SMN1; SMN2GRM5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022199677-A1 NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-09-29 WO disclosed