SCHEMBL30867149

SCHEMBL30867149

Cc1ccc2[nH]cc(CCNc3nc(Cl)nc4scnc34)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
GFER P55789 1/20 0.43
HTR1D P28221 1/20 0.43
HTR2A P28223 1/20 0.43
IP6K1 Q92551 1/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 3/20 0.40
USP2 O75604 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP2C19 P33261 2/20 0.40
HIF1A Q16665 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40

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
SCHEMBL27319892 1.00 MTNR1A (0.45) MTNR1AMTNR1BGFERHTR1DHTR2A
SCHEMBL30867205 0.90 IP6K1 (0.49) MTNR1AMTNR1BGFERHTR2AIP6K1
SCHEMBL30867143 0.88 MPO (0.51) MTNR1AMTNR1BHTR2AKMT2AMPO
SCHEMBL27319968 0.88 MPO (0.51) MTNR1AMTNR1BHTR2AKMT2AMPO
SCHEMBL27320687 0.88 HTR2A (0.54) MTNR1AHTR2AMAPTCYP2D6USP2
SCHEMBL30867150 0.88 HTR2A (0.54) MTNR1AHTR2AMAPTCYP2D6USP2
SCHEMBL30867137 0.86 HTT (0.49) GFERHTR2AIP6K1MAPTSMN1; SMN2
SCHEMBL27318656 0.86 HTT (0.49) GFERHTR2AIP6K1MAPTSMN1; SMN2
SCHEMBL30867135 0.86 HTT (0.49) GFERHTR2AIP6K1MAPTSMN1; SMN2
SCHEMBL27319919 0.82 GAA (0.43) MTNR1AMTNR1BGFERHTR1DHTR2A

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