SCHEMBL30867128

SCHEMBL30867128

Oc1ncccc1-c1nc(OCCc2c[nH]c3ccc(Cl)cc23)c2ncsc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
HTR2A P28223 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SNCA P37840 7/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
SLC6A4 P31645 1/20 0.34
CXCR3 P49682 1/20 0.34

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
SCHEMBL27320667 1.00 HPGD (0.39) HPGDHTR2ATRPM8LMNAMAPT
SCHEMBL27321231 0.90 SLC6A4 (0.40) HTR2ATRPM8KMT2AADORA3ADORA2A
SCHEMBL31534066 0.90 SLC6A4 (0.40) HTR2ATRPM8KMT2AADORA3ADORA2A
SCHEMBL27318958 0.89 HTR1A (0.39) HTR2ALMNAMAPTMEN1KMT2A
SCHEMBL31534082 0.89 HTR1A (0.39) HTR2ALMNAMAPTMEN1KMT2A
SCHEMBL27320856 0.86 HPGD (0.44) HPGDLMNAMEN1TP53KMT2A
SCHEMBL30867134 0.86 HPGD (0.44) HPGDLMNAMEN1TP53KMT2A
SCHEMBL31534087 0.85 LMNA (0.40) HPGDHTR2ATRPM8LMNAMAPT
SCHEMBL31534078 0.84 GPR84 (0.39) GPR84MTNR1A
SCHEMBL27319328 0.84 GPR84 (0.39) GPR84MTNR1A

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