SCHEMBL30953685

SCHEMBL30953685

Nc1nc2c(s1)CCc1ccc(Cl)cc1-2

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
MAPT P10636 1/20 0.64
MPI P34949 1/20 0.64
ADORA1 P30542 5/20 0.61
FBP1 P09467 10/20 0.61

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
SCHEMBL1801705 0.88 ADORA1 (0.63) KDM4EALDH1A1MAPTMPIADORA1
SCHEMBL30953664 0.86 ADORA1 (0.67) ADORA1FBP1
SCHEMBL11955706 0.82 ADORA1 (0.74) KDM4EALDH1A1MAPTMPIADORA1
SCHEMBL5573260 0.80 ADORA1 (0.67) ADORA1FBP1
Iodide SCHEMBL4960121 0.79 ADORA1 (0.69) ADORA1FBP1
SCHEMBL6885965 0.78 MAPT (1.00) KDM4EALDH1A1MAPTMPIADORA1
SCHEMBL30953833 0.78 ADORA1 (0.97) KDM4EALDH1A1MAPTMPIADORA1
SCHEMBL1745165 0.78 ADORA1 (0.97) KDM4EALDH1A1MAPTMPIADORA1
Iodide SCHEMBL4957487 0.76 ADORA1 (1.00) KDM4EALDH1A1MAPTMPIADORA1
SCHEMBL2762611 0.76 FBP1 (0.62) KDM4EALDH1A1MAPTMPIADORA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024140431-A1 COMPOUNDS COMPRISING HETEROARYL RINGS AND COMPOSITIONS AND METHODS THEREOF IONGEN THERAPEUTICS CO., LTD. (CN) 2024-07-04 WO disclosed