SCHEMBL30867155

SCHEMBL30867155

Cc1ncc(-c2nc(OCCc3c[nH]c4ccc(F)cc34)c3ncsc3n2)s1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MPO P05164 12/20 0.40
SLC6A4 P31645 5/20 0.39
HTR2A P28223 3/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
HTR1A P08908 5/20 0.37
KMT2A Q03164 1/20 0.37
HTR2C P28335 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
SCHEMBL27320599 1.00 MPO (0.40) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL27320634 0.90 HTR2A (0.38) SLC6A4HTR2ATRPM8HTR1A
SCHEMBL30867141 0.90 HTR2A (0.38) SLC6A4HTR2ATRPM8HTR1A
SCHEMBL30867173 0.87 MPO (0.40) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL31534055 0.84 MPO (0.42) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL27320817 0.84 MPO (0.42) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL30867211 0.82 HTR1A (0.43) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL27319956 0.82 HTR1A (0.43) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL30867157 0.82 MPO (0.42) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL27319951 0.82 MPO (0.42) MPOSLC6A4HTR2ATRPM8HTR1A

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