SCHEMBL23028622

SCHEMBL23028622

CN(C(=O)OC(C)(C)C)c1ccc2[nH]ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.45
BRD4 O60885 2/20 0.42
PAX8 Q06710 1/20 0.42
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
RAD51 Q06609 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39

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
SCHEMBL23028621 0.87 MAOA (0.46) MAOAUSP2GAAALOX15RAD51
SCHEMBL29508438 0.87 MAOA (0.46) MAOAUSP2GAAALOX15RAD51
SCHEMBL23013668 0.84 MAOA (0.43) MAOAUSP2GAAALOX15RAD51
SCHEMBL23028553 0.83 MAOA (0.42) MAOAUSP2GAAALOX15RAD51
SCHEMBL9717426 0.79 SLC6A2 (0.46) MAOAUSP2GAAALOX15RAD51
SCHEMBL27893428 0.78 BRD4 (0.44) BRD4PAX8NPSR1CREBBPRAB9A
SCHEMBL30695840 0.77 MAOA (0.45) MAOAUSP2GAAALOX15RAD51
SCHEMBL31453143 0.77 PAX8 (0.51) BRD4PAX8GAANPSR1CREBBP
SCHEMBL8018111 0.77 PAX8 (0.55) BRD4PAX8GAANPSR1CREBBP
SCHEMBL19463917 0.76 MAOA (0.46) MAOANLRP3TAS1R3TAS1R1CYP2A6

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-2021032934-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed