SCHEMBL30867204

SCHEMBL30867204

c1ccc2c(CCNc3nc(-c4cnco4)nc4scnc34)c[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.47
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.42
SLC2A1 P11166 1/20 0.42
RAD52 P43351 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PDPK1 O15530 1/20 0.41
RPS6KB1 P23443 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
SCHEMBL27319144 1.00 GBA1 (0.47) GBA1HTTSMN1; SMN2LMNAMAPT
SCHEMBL27319390 0.84 GBA1 (0.55) GBA1HTTSMN1; SMN2LMNAMAPT
SCHEMBL30867186 0.84 GBA1 (0.55) GBA1HTTSMN1; SMN2LMNAMAPT
SCHEMBL30867197 0.83 GBA1 (0.69) GBA1HTTSMN1; SMN2LMNAMAPT
SCHEMBL31534058 0.81 GBA1 (0.49) GBA1HTTSMN1; SMN2LMNAMAPT
SCHEMBL27319374 0.81 GBA1 (0.49) GBA1HTTSMN1; SMN2LMNAMAPT
SCHEMBL27318664 0.80 GBA1 (0.44) GBA1HTTSMN1; SMN2LMNAMAPT
SCHEMBL30867196 0.80 GBA1 (0.44) GBA1HTTSMN1; SMN2LMNAMAPT
SCHEMBL30867159 0.80 GBA1 (0.48) GBA1HTTSMN1; SMN2LMNAMAPT
SCHEMBL27319354 0.80 GBA1 (0.48) GBA1HTTSMN1; SMN2LMNAMAPT

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-4598931-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2025-08-13 EP disclosed
CN-119948035-A Compounds useful for modulating AhR signaling 捷豹治疗有限公司 2025-05-06 CN disclosed
WO-2024076300-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2024-04-11 WO disclosed