SCHEMBL30867180

SCHEMBL30867180

Clc1nc(OCCc2c[nH]c3ccccc23)c2ncsc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR2 P30874 1/20 0.43
SSTR4 P31391 1/20 0.43
HTR1A P08908 6/20 0.40
HTR2A P28223 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GSK3B P49841 1/20 0.39
NEK4 P51957 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
HTR7 P34969 2/20 0.39
HTR6 P50406 2/20 0.39
HTR2C P28335 2/20 0.39
CYP3A4 P08684 2/20 0.39
MPO P05164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL27318935 1.00 SSTR2 (0.43) SSTR2SSTR4HTR1AHTR2AALDH1A1
SCHEMBL27319867 0.87 HTR2A (0.45) HTR1AHTR2AHTR7HTR6HTR2C
SCHEMBL30867170 0.87 HTR2A (0.45) HTR1AHTR2AHTR7HTR6HTR2C
SCHEMBL27319943 0.85 MPO (0.44) HTR1AHTR2AMPOKMT2ASLC6A4
SCHEMBL30867130 0.85 MPO (0.44) HTR1AHTR2AMPOKMT2ASLC6A4
SCHEMBL30867167 0.85 GPR84 (0.43) HTR1AHTR2AHTR7HTR6HTR2C
SCHEMBL27319316 0.85 GPR84 (0.43) HTR1AHTR2AHTR7HTR6HTR2C
SCHEMBL27319565 0.83 CDK4 (0.43) SSTR2SSTR4HTR1AGSK3BSLC6A4
SCHEMBL31534073 0.83 CDK4 (0.43) SSTR2SSTR4HTR1AGSK3BSLC6A4
SCHEMBL31534061 0.82 SSTR2 (0.38) SSTR2SSTR4HTR1AHTR2AALDH1A1

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