SCHEMBL22198975

SCHEMBL22198975

Cc1cc2cccc(Cl)c2[nH]c1=O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.65
BRD4 O60885 9/20 0.53
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
DDO Q99489 1/20 0.51
ATAD2 Q6PL18 5/20 0.50
AKR1B1 P15121 1/20 0.46
HRH4 Q9H3N8 1/20 0.43
PARP1 P09874 2/20 0.42
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL12559601 0.83 DAO (0.71) DAOBRD4DDOATAD2KDM4E
SCHEMBL22185215 0.79 DAO (0.61) DAOCA12CA9DDOAKR1B1
SCHEMBL866250 0.79 DAO (0.65) DAOBRD4DDOATAD2PARP1
SCHEMBL12970395 0.79 DAO (0.65) DAOBRD4CA12CA9DDO
SCHEMBL3316092 0.79 DAO (0.65) DAOCA12CA9DDOAKR1B1
SCHEMBL16767858 0.79 DAO (1.00) DAOCA12CA9DDOAKR1B1
SCHEMBL31378942 0.79 DAO (0.65) DAOCA12CA9DDOAKR1B1
SCHEMBL24970979 0.79 DAO (0.65) DAODDOKDM4EHSD17B10
SCHEMBL22184925 0.78 DAO (0.59) DAOCA12CA9DDOAKR1B1
SCHEMBL837013 0.77 DAO (0.53) DAOCA12CA9DDOAKR1B1

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-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 WO disclosed