SCHEMBL30867196

SCHEMBL30867196

Cc1ncc(-c2nc(NCCc3c[nH]c4ccccc34)c3ncsc3n2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.44
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EIF2AK2 P19525 1/20 0.42
HTR2A P28223 3/20 0.42
HTR1A P08908 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
SLC2A1 P11166 1/20 0.42
RAD52 P43351 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL27318664 1.00 GBA1 (0.44) GBA1HTTLMNAMAPTMAPK1
SCHEMBL27319209 0.88 GBA1 (0.43) GBA1HTTLMNAMAPTMAPK1
SCHEMBL30867129 0.88 GBA1 (0.43) GBA1HTTLMNAMAPTMAPK1
SCHEMBL27320844 0.84 CDK2 (0.39) LMNAMAPTMAPK1KDM4EALDH1A1
SCHEMBL30867174 0.84 CDK2 (0.39) LMNAMAPTMAPK1KDM4EALDH1A1
SCHEMBL30867160 0.84 GBA1 (0.39) GBA1HTTLMNAMAPTMAPK1
SCHEMBL30867186 0.83 GBA1 (0.55) GBA1HTTLMNAMAPTMAPK1
SCHEMBL27319390 0.83 GBA1 (0.55) GBA1HTTLMNAMAPTMAPK1
SCHEMBL27319374 0.81 GBA1 (0.49) GBA1HTTLMNAMAPTMAPK1
SCHEMBL31534058 0.81 GBA1 (0.49) GBA1HTTLMNAMAPTMAPK1

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