SCHEMBL30867205

SCHEMBL30867205

Clc1ccc2[nH]cc(CCNc3nc(Cl)nc4scnc34)c2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.49
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
HTR2A P28223 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44
TSHR P16473 1/20 0.43
PAK4 O96013 7/20 0.43
GPR84 Q9NQS5 1/20 0.42
GFER P55789 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 1/20 0.41
SNCA P37840 3/20 0.41
SLC6A4 P31645 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
SCHEMBL30867143 0.90 MPO (0.51) MTNR1AMTNR1BHTR2ATRPM8SLC6A4
SCHEMBL27319892 0.90 MTNR1A (0.45) IP6K1MTNR1AMTNR1BHTR2ATSHR
SCHEMBL27319968 0.90 MPO (0.51) MTNR1AMTNR1BHTR2ATRPM8SLC6A4
SCHEMBL30867149 0.90 MTNR1A (0.45) IP6K1MTNR1AMTNR1BHTR2ATSHR
SCHEMBL30867135 0.88 HTT (0.49) IP6K1HTR2APAK4GPR84GFER
SCHEMBL27318656 0.88 HTT (0.49) IP6K1HTR2APAK4GPR84GFER
SCHEMBL30867137 0.88 HTT (0.49) IP6K1HTR2APAK4GPR84GFER
SCHEMBL27320687 0.88 HTR2A (0.54) MTNR1AHTR2ATSHRHSD17B10HPGD
SCHEMBL30867150 0.88 HTR2A (0.54) MTNR1AHTR2ATSHRHSD17B10HPGD
SCHEMBL30867166 0.82 NPC1 (0.39) HTR2ATSHRPAK4GFERHSD17B10

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