SCHEMBL29623296

SCHEMBL29623296

CCc1ccc2nc(Nc3ccc(CO)cc3)n(-c3ccccc3)c(=O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
EGFR P00533 1/20 0.39
PDE7A Q13946 1/20 0.39
PNP P00491 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
USP2 O75604 1/20 0.38

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
SCHEMBL24089963 1.00 MAPT (0.43) MAPTHDAC1HDAC8HDAC6CA12
SCHEMBL24090104 0.93 USP2 (0.44) MAPTHDAC1HDAC8HDAC6PDE7A
SCHEMBL24089982 0.90 JUN (0.45) MAPT
SCHEMBL24089969 0.88 IDO1 (0.42) MAPTHDAC1HDAC8HDAC6EGFR
SCHEMBL29623172 0.87 TDO2 (0.44) HDAC1HDAC8HDAC6HDAC2
SCHEMBL29623225 0.87 KDM4E (0.44)
SCHEMBL24090107 0.87 TDO2 (0.44) HDAC1HDAC8HDAC6HDAC2
SCHEMBL23045330 0.87 KDM4E (0.44)
SCHEMBL24089985 0.86 KDM1A (0.42) MAPTHDAC6
SCHEMBL24090010 0.86 USP2 (0.52) MAPTPDE7AUSP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114650986-A 2-aminoquinazolinone derivatives 住友制药株式会社 2022-06-21 CN claimed
CN-114650986-A 2-aminoquinazolinone derivatives 住友制药株式会社 2022-06-21 CN disclosed