SCHEMBL31597397

SCHEMBL31597397

Cc1cccc2c(=O)n(-c3ccccc3)c(=S)[nH]c12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.70
CA1 P00915 7/20 0.70
CA2 P00918 7/20 0.70
CA9 Q16790 7/20 0.70
PDE7A Q13946 3/20 0.67
PDE7B Q9NP56 1/20 0.61
ALDH1A1 P00352 5/20 0.57
PPARG P37231 3/20 0.57
RXFP1 Q9HBX9 3/20 0.57
NR2E3 Q9Y5X4 3/20 0.57
NCOR2 Q9Y618 3/20 0.57
LOXL3 P58215 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.55
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 2/20 0.51
MAPT P10636 1/20 0.51
POLB P06746 1/20 0.50
CYP2C9 P11712 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL31597447 0.87 PDE7A (0.70) CA12CA1CA2CA9PDE7A
SCHEMBL31597533 0.84 PDE7A (0.56) CA12CA1CA2CA9PDE7A
SCHEMBL31597470 0.84 CA12 (0.65) CA12CA1CA2CA9PDE7A
SCHEMBL15231061 0.82 CA12 (0.72) CA12CA1CA2CA9PDE7A
SCHEMBL18239992 0.82 CA12 (0.70) CA12CA1CA2CA9PDE7A
SCHEMBL31597601 0.82 CA12 (0.72) CA12CA1CA2CA9PDE7A
SCHEMBL844874 0.81 PDE7A (1.00) CA12CA1CA2CA9PDE7A
SCHEMBL30837827 0.81 PDE7A (1.00) CA12CA1CA2CA9PDE7A
SCHEMBL30837960 0.80 PDE7A (1.00) CA12CA1CA2CA9PDE7A
SCHEMBL3336461 0.80 PDE7A (1.00) CA12CA1CA2CA9PDE7A

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
CN-120058621-A 2, 3-Dihydro quinazoline derivative containing substituted phenyl, preparation method and application thereof 中国医学科学院药物研究所 2025-05-30 CN disclosed