SCHEMBL21517844

SCHEMBL21517844

O=C1Cc2cc(-c3cccc(C(=O)O)c3Cl)ccc2N1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.56
GRIA1 P42261 3/20 0.55
CACNG8 Q8WXS5 3/20 0.55
BRD4 O60885 2/20 0.49
CREBBP Q92793 1/20 0.49
AHR P35869 1/20 0.48
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
TDP2 O95551 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
CRBN Q96SW2 2/20 0.45
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
CDC7 O00311 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
DBF4 Q9UBU7 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
SCHEMBL18189346 0.86 GRIA1 (0.54) PGRGRIA1CACNG8BRD4CREBBP
SCHEMBL21517849 0.85 GRIA1 (0.62) PGRGRIA1CACNG8BRD4CREBBP
SCHEMBL21517845 0.82 GRIA1 (0.60) PGRGRIA1CACNG8BRD4CREBBP
SCHEMBL21517842 0.82 GRIA1 (0.55) PGRGRIA1CACNG8BRD4CREBBP
SCHEMBL18189315 0.81 GRIA1 (0.75) PGRGRIA1CACNG8BRD4CREBBP
SCHEMBL7076084 0.78 GRIA1 (0.63) PGRGRIA1CACNG8BRD4CREBBP
SCHEMBL18189534 0.78 PGR (0.56) PGRGRIA1CACNG8BRD4CREBBP
SCHEMBL18189304 0.78 PGR (0.56) PGRGRIA1CACNG8BRD4CREBBP
SCHEMBL21517847 0.78 GRIA1 (0.76) PGRGRIA1CACNG8BRD4CREBBP
SCHEMBL28639586 0.77 GRIA1 (0.69) PGRGRIA1CACNG8BRD4CREBBP

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
EP-3288935-B1 INDOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-30 EP claimed