SCHEMBL30867133

SCHEMBL30867133

Cn1cc(-c2nc(OCCc3c[nH]c4ccc(F)cc34)c3ncsc3n2)cn1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MPO P05164 8/20 0.40
HTR1A P08908 10/20 0.39
HTR7 P34969 3/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
HTR2A P28223 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36

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
SCHEMBL27321120 1.00 MPO (0.40) MPOHTR1AHTR7SLC6A4KCNH2
SCHEMBL27319874 0.90 HTR1A (0.39) HTR1ASLC6A4CDK4CCND1HTR2A
SCHEMBL30867162 0.90 HTR1A (0.39) HTR1ASLC6A4CDK4CCND1HTR2A
SCHEMBL27319560 0.88 ABCC1 (0.36) HTR1AHTR2A
SCHEMBL30867172 0.88 ABCC1 (0.36) HTR1AHTR2A
SCHEMBL31534055 0.86 MPO (0.42) MPOHTR1ASLC6A4CDK4CCND1
SCHEMBL27320817 0.86 MPO (0.42) MPOHTR1ASLC6A4CDK4CCND1
SCHEMBL30867211 0.85 HTR1A (0.43) MPOHTR1AHTR7SLC6A4HTR2A
SCHEMBL27319956 0.85 HTR1A (0.43) MPOHTR1AHTR7SLC6A4HTR2A
SCHEMBL30867157 0.84 MPO (0.42) MPOHTR1ASLC6A4HTR2ATRPM8

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