SCHEMBL30867171

SCHEMBL30867171

Cc1[nH]c2ccccc2c1CCNc1ncnc2scnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 2/20 0.46
ALDH1A1 P00352 4/20 0.43
HTT P42858 3/20 0.43
TSHR P16473 2/20 0.43
PABPC1 P11940 1/20 0.43
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 5/20 0.42
POLB P06746 1/20 0.42
HTR6 P50406 1/20 0.41
ATM Q13315 1/20 0.41
GFER P55789 1/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GALR3 O60755 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC4 P56524 1/20 0.39
MEF2D Q14814 1/20 0.39

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 0.84 IP6K1 (0.46) IP6K1ALDH1A1HTTTSHRPABPC1
SCHEMBL30867145 0.84 IP6K1 (0.46) IP6K1ALDH1A1HTTTSHRPABPC1
SCHEMBL27319536 0.79 IP6K1 (0.42) IP6K1ALDH1A1HTTTSHRPABPC1
SCHEMBL30867147 0.77 IP6K1 (0.41) IP6K1ALDH1A1HTTTSHRPABPC1
SCHEMBL27319539 0.77 IP6K1 (0.41) IP6K1ALDH1A1HTTTSHRPABPC1
SCHEMBL27319530 0.77 IP6K1 (0.42) IP6K1ALDH1A1HTTTSHRPABPC1
SCHEMBL30867164 0.77 IP6K1 (0.42) IP6K1ALDH1A1HTTTSHRPABPC1
SCHEMBL27319526 0.76 IP6K1 (0.41) IP6K1ALDH1A1HTTTSHRPABPC1
SCHEMBL2077801 0.71 CHRNB2 (0.67) ALDH1A1HTTTSHRPABPC1ALOX15
SCHEMBL2179038 0.70 HTT (0.51) ALDH1A1HTTTSHRKDM4EPOLB

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 2 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
WO-2024076300-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2024-04-11 WO disclosed