SCHEMBL30867164

SCHEMBL30867164

Cc1[nH]c2ccccc2c1CCNc1nc(-c2ccc[nH]c2=O)nc2scnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 2/20 0.42
ATM Q13315 1/20 0.38
PABPC1 P11940 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPT P10636 6/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC4 P56524 2/20 0.36
MEF2D Q14814 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
ALOX12 P18054 1/20 0.35
GFER P55789 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35

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
SCHEMBL27319530 1.00 IP6K1 (0.42) IP6K1ATMPABPC1ALOX15MAPT
SCHEMBL27319536 0.85 IP6K1 (0.42) IP6K1ATMPABPC1ALOX15MAPT
SCHEMBL27319539 0.84 IP6K1 (0.41) IP6K1ATMPABPC1ALOX15MAPT
SCHEMBL30867147 0.84 IP6K1 (0.41) IP6K1ATMPABPC1ALOX15MAPT
SCHEMBL27318674 0.83 NQO1 (0.46) IP6K1ALOX15MAPTTDP1TP53
SCHEMBL30867175 0.83 NQO1 (0.46) IP6K1ALOX15MAPTTDP1TP53
SCHEMBL30867145 0.80 IP6K1 (0.46) IP6K1ATMPABPC1ALOX15MAPT
SCHEMBL27319513 0.80 IP6K1 (0.46) IP6K1ATMPABPC1ALOX15MAPT
SCHEMBL27319910 0.78 ALDH1A1 (0.42) ALOX15MAPTTDP1TP53MEN1
SCHEMBL30867153 0.78 MTNR1A (0.41) ALOX15TP53HDAC1CDK2CYP1A2

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