SCHEMBL30867129

SCHEMBL30867129

OCc1ncc(-c2nc(NCCc3c[nH]c4ccccc34)c3ncsc3n2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDPK1 O15530 1/20 0.41
RPS6KB1 P23443 1/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
SLC2A1 P11166 1/20 0.41
RAD52 P43351 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL27319209 1.00 GBA1 (0.43) GBA1HDAC1HDAC3HDAC2HDAC6
SCHEMBL30867196 0.88 GBA1 (0.44) GBA1HDAC1HDAC3HDAC2HDAC6
SCHEMBL27318664 0.88 GBA1 (0.44) GBA1HDAC1HDAC3HDAC2HDAC6
SCHEMBL30867160 0.86 GBA1 (0.39) GBA1HDAC1HDAC3HDAC2HDAC6
SCHEMBL27319390 0.81 GBA1 (0.55) GBA1HDAC1HDAC3HDAC2HDAC6
SCHEMBL30867186 0.81 GBA1 (0.55) GBA1HDAC1HDAC3HDAC2HDAC6
SCHEMBL27319374 0.80 GBA1 (0.49) GBA1HDAC1HDAC3HDAC2HDAC6
SCHEMBL31534058 0.80 GBA1 (0.49) GBA1HDAC1HDAC3HDAC2HDAC6
SCHEMBL27319131 0.80 KMT2A (0.44) GBA1HDAC1HDAC3HDAC2HDAC6
SCHEMBL30867197 0.80 GBA1 (0.69) GBA1HTTLMNAMAPTMAPK1

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
EP-4598931-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2025-08-13 EP disclosed
WO-2024076300-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2024-04-11 WO disclosed