SCHEMBL21147735

SCHEMBL21147735

CCc1ccc(-n2c(=O)c3cc4c(=O)n(C(C)(C)C)c(=O)c4cc3c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MGLL Q99685 2/20 0.41
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HCAR1 Q9BXC0 2/20 0.36
TP53 P04637 3/20 0.35
LMNA P02545 2/20 0.35
APOBEC3G Q9HC16 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL15443585 0.88 POLB (0.45) POLBCA12CA1CA2CA9
SCHEMBL15462786 0.88 POLB (0.43) POLBCA12CA1CA2CA9
SCHEMBL18648292 0.85 POLB (0.41) POLBCA12CA1CA2CA9
SCHEMBL862788 0.82 CA12 (0.45) POLBCA12CA1CA2CA9
SCHEMBL21147736 0.82 CA12 (0.45) POLBCA12CA1CA2CA9
SCHEMBL17878210 0.81 MGLL (0.49) POLBCA12CA1CA2CA9
SCHEMBL13695372 0.78 CA12 (0.41) POLBCA12CA1CA2CA9
SCHEMBL13553156 0.75 GAA (0.37) POLBCA12CA1CA9MAPT
SCHEMBL12812236 0.75 NPC1 (0.43) POLBCA12CA1CA2CA9
SCHEMBL15457961 0.74 SMN1; SMN2 (0.43) POLBCA12CA1CA2CA9

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-2692796-B1 COMPOSITION SUMITOMO CHEMICAL CO (JP) 2019-07-10 EP disclosed