SCHEMBL30867188

SCHEMBL30867188

O=c1[nH]cc(-c2nc(NCCc3c[nH]c4ccccc34)c3ncsc3n2)c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.43
NQO1 P15559 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GBA1 P04062 1/20 0.42
PDPK1 O15530 1/20 0.42
RPS6KB1 P23443 1/20 0.42
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
SLC2A1 P11166 1/20 0.41
RAD52 P43351 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 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
SCHEMBL30867187 1.00 GPR84 (0.43) GPR84NQO1NPC1RAB9AHTT
SCHEMBL27319126 1.00 GPR84 (0.43) GPR84NQO1NPC1RAB9AHTT
SCHEMBL30867183 0.88 PDPK1 (0.43) GPR84NQO1NPC1RAB9AHTT
SCHEMBL27319239 0.88 PDPK1 (0.43) GPR84NQO1NPC1RAB9AHTT
SCHEMBL30867175 0.87 NQO1 (0.46) GPR84NQO1NPC1RAB9AHTT
SCHEMBL27318674 0.87 NQO1 (0.46) GPR84NQO1NPC1RAB9AHTT
SCHEMBL27319259 0.84 GBA1 (0.43) GPR84NQO1NPC1RAB9AHTT
SCHEMBL30867186 0.82 GBA1 (0.55) NQO1NPC1RAB9AHTTMAPK1
SCHEMBL27319390 0.82 GBA1 (0.55) NQO1NPC1RAB9AHTTMAPK1
SCHEMBL30867200 0.81 NQO1 (0.48) NQO1NPC1RAB9AHTTMAPK1

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