SCHEMBL30867173

SCHEMBL30867173

Fc1ccc2[nH]cc(CCOc3nc(-c4cncs4)nc4scnc34)c2c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MPO P05164 13/20 0.40
HTR2A P28223 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
SLC6A4 P31645 4/20 0.39
HTR1A P08908 5/20 0.39
KMT2A Q03164 1/20 0.39
GPR84 Q9NQS5 1/20 0.37

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
SCHEMBL30867131 0.89 HTR2A (0.39) HTR2ATRPM8SLC6A4HTR1AGPR84
SCHEMBL27320677 0.89 HTR2A (0.39) HTR2ATRPM8SLC6A4HTR1AGPR84
SCHEMBL27320797 0.87 GSK3B (0.40) MPOHTR2ASLC6A4HTR1AKMT2A
SCHEMBL31534065 0.87 GSK3B (0.40) MPOHTR2ASLC6A4HTR1AKMT2A
SCHEMBL30867155 0.87 MPO (0.40) MPOHTR2ATRPM8SLC6A4HTR1A
SCHEMBL27320599 0.87 MPO (0.40) MPOHTR2ATRPM8SLC6A4HTR1A
SCHEMBL31534055 0.86 MPO (0.42) MPOHTR2ATRPM8SLC6A4HTR1A
SCHEMBL27320817 0.86 MPO (0.42) MPOHTR2ATRPM8SLC6A4HTR1A
SCHEMBL30867157 0.86 MPO (0.42) MPOHTR2ATRPM8SLC6A4HTR1A
SCHEMBL27319951 0.86 MPO (0.42) MPOHTR2ATRPM8SLC6A4HTR1A

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