SCHEMBL30867135

SCHEMBL30867135

Clc1nc(NCCc2c[nH]c3ccccc23)c2ncsc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
GFER P55789 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
SLC2A1 P11166 1/20 0.49
RAD52 P43351 1/20 0.49
HTR1A P08908 4/20 0.47
HTR2A P28223 4/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.47
PDPK1 O15530 1/20 0.46
RPS6KB1 P23443 1/20 0.46

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
SCHEMBL27318656 1.00 HTT (0.49) HTTLMNAMAPTMAPK1GFER
SCHEMBL30867137 1.00 HTT (0.49) HTTLMNAMAPTMAPK1GFER
SCHEMBL30867205 0.88 IP6K1 (0.49) GFERHTR2AIP6K1PAK4GPR84
SCHEMBL30867166 0.86 NPC1 (0.39) HTTLMNAMAPTMAPK1GFER
SCHEMBL27319288 0.86 NPC1 (0.39) HTTLMNAMAPTMAPK1GFER
SCHEMBL30867178 0.86 MTNR1A (0.45) LMNAPOLBHTR1AHTR2ANPC1
SCHEMBL27318895 0.86 MTNR1A (0.45) LMNAPOLBHTR1AHTR2ANPC1
SCHEMBL30867143 0.86 MPO (0.51) KMT2AHTR1AHTR2A
SCHEMBL30867149 0.86 MTNR1A (0.45) LMNAMAPTMAPK1GFERSMN1; SMN2
SCHEMBL27319892 0.86 MTNR1A (0.45) LMNAMAPTMAPK1GFERSMN1; SMN2

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