SCHEMBL30867203

SCHEMBL30867203

Cc1ncsc1-c1nc(OCCc2c[nH]c3ccccc23)c2ncsc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR2 P30874 1/20 0.39
SSTR4 P31391 1/20 0.39
HTR1A P08908 5/20 0.38
HTR2A P28223 4/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
GSK3B P49841 1/20 0.36
NEK4 P51957 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
HTR6 P50406 2/20 0.35
MPO P05164 1/20 0.35
CYP2A6 P11509 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL27321131 1.00 SSTR2 (0.39) SSTR2SSTR4HTR1AHTR2AKDM4E
SCHEMBL31534061 0.91 SSTR2 (0.38) SSTR2SSTR4HTR1AHTR2AKDM4E
SCHEMBL27319333 0.84 PTGS2 (0.40) SSTR2SSTR4HTR1AHTR2AKDM4E
SCHEMBL30867195 0.84 PTGS2 (0.40) SSTR2SSTR4HTR1AHTR2AKDM4E
SCHEMBL31534073 0.83 CDK4 (0.43) SSTR2SSTR4HTR1AGSK3BSLC6A4
SCHEMBL27319565 0.83 CDK4 (0.43) SSTR2SSTR4HTR1AGSK3BSLC6A4
SCHEMBL31534056 0.83 GBA1 (0.41) SSTR2SSTR4HTR1AHTR2AKDM4E
SCHEMBL31534065 0.83 GSK3B (0.40) SSTR2SSTR4HTR1AHTR2AKDM4E
SCHEMBL27320797 0.83 GSK3B (0.40) SSTR2SSTR4HTR1AHTR2AKDM4E
SCHEMBL31534096 0.82 GSK3B (0.39) SSTR2SSTR4HTR1AGSK3BNEK4

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