SCHEMBL31139816

SCHEMBL31139816

Cc1cccc2[nH]c(=O)c(Cl)cc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.65
DDO Q99489 3/20 0.65
GRIN2D O15399 3/20 0.47
GRIN3B O60391 3/20 0.47
GRIN1 Q05586 3/20 0.47
GRIN2A Q12879 3/20 0.47
GRIN2B Q13224 3/20 0.47
GRIN2C Q14957 3/20 0.47
GRIN3A Q8TCU5 3/20 0.47
LMNA P02545 3/20 0.46
CYP1A2 P05177 4/20 0.46
TNKS2 Q9H2K2 2/20 0.46
CYP2C19 P33261 1/20 0.46
BRD4 O60885 1/20 0.44
PARP1 P09874 2/20 0.42
GRIA1 P42261 2/20 0.42
CACNG8 Q8WXS5 1/20 0.42
KIF11 P52732 1/20 0.42
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41

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
SCHEMBL20247282 0.83 DAO (0.71) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL30667289 0.83 DAO (0.71) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL3423807 0.79 DAO (1.00) DAODDOCYP1A2TNKS2CYP2C19
SCHEMBL20940200 0.79 DAO (0.65) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL830278 0.76 DAO (0.61) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL3423473 0.76 DAO (0.61) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL31606374 0.75 DAO (0.59) DAODDOLMNACYP1A2TNKS2
SCHEMBL29713806 0.72 DAO (0.56) DAODDOLMNACYP1A2TNKS2
SCHEMBL8230643 0.72 DAO (0.56) DAODDOLMNACYP1A2TNKS2
Formaldehyde SCHEMBL28245545 0.72 DAO (0.56) DAODDOLMNACYP1A2TNKS2

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-118696034-A Novel bicyclic compounds as RAD51 inhibitors 萨提亚疗法股份有限公司 2024-09-24 CN disclosed