SCHEMBL30867145

SCHEMBL30867145

Cc1[nH]c2ccccc2c1CCNc1nc(Cl)nc2scnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 2/20 0.46
PABPC1 P11940 1/20 0.41
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HDAC4 P56524 1/20 0.39
MEF2D Q14814 1/20 0.39
HTR6 P50406 1/20 0.39
ATM Q13315 1/20 0.39
MMP2 P08253 2/20 0.39
GFER P55789 1/20 0.39
MAPT P10636 3/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL27319513 1.00 IP6K1 (0.46) IP6K1PABPC1ALOX15ALDH1A1TSHR
SCHEMBL30867171 0.84 IP6K1 (0.46) IP6K1PABPC1ALOX15ALDH1A1TSHR
SCHEMBL27319536 0.82 IP6K1 (0.42) IP6K1PABPC1ALOX15ALDH1A1TSHR
SCHEMBL30867147 0.81 IP6K1 (0.41) IP6K1PABPC1ALOX15ALDH1A1TSHR
SCHEMBL27319539 0.81 IP6K1 (0.41) IP6K1PABPC1ALOX15ALDH1A1TSHR
SCHEMBL30867164 0.80 IP6K1 (0.42) IP6K1PABPC1ALOX15ALDH1A1TSHR
SCHEMBL27319530 0.80 IP6K1 (0.42) IP6K1PABPC1ALOX15ALDH1A1TSHR
SCHEMBL27319526 0.79 IP6K1 (0.41) IP6K1PABPC1ALOX15ALDH1A1TSHR
SCHEMBL30867135 0.79 HTT (0.49) IP6K1ALOX15ALDH1A1HTTKDM4E
SCHEMBL30867137 0.79 HTT (0.49) IP6K1ALOX15ALDH1A1HTTKDM4E

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