SCHEMBL21812974

SCHEMBL21812974

CC(C)(C)OC(=O)NCc1nc(-c2ccccc2O)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.48
HDAC3 O15379 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
KDM4A O75164 1/20 0.43
GSTO1 P78417 1/20 0.43
AMY1A P0DUB6 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MAPT P10636 2/20 0.40
ATM Q13315 1/20 0.40
KCNA5 P22460 1/20 0.40
CYP19A1 P11511 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 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
SCHEMBL21812678 0.84 MAPK1 (0.53) HDAC1HDAC3HDAC6KDM4AGSTO1
SCHEMBL21813001 0.84 SCN9A (0.50) HDAC1HDAC3HDAC6KDM4AKCNA5
SCHEMBL21812704 0.83 HDAC3 (0.49) HDAC1HDAC3HDAC6KDM4ASMN1; SMN2
SCHEMBL21812782 0.82 HDAC3 (0.46) HDAC1HDAC3HDAC6KDM4AKCNA5
SCHEMBL21834601 0.81 HDAC6 (0.45) HDAC1HDAC3HDAC6KDM4AKCNA5
SCHEMBL21812750 0.81 HDAC3 (0.50) HDAC1HDAC3HDAC6AMY1ACASP3
SCHEMBL21812712 0.79 HDAC3 (0.47) HDAC1HDAC3HDAC6RAB9ASMN1; SMN2
SCHEMBL21834564 0.78 HDAC3 (0.48) HDAC1HDAC3HDAC6KDM4AKDM4E
SCHEMBL21812652 0.78 LMNA (0.53) HDAC1HDAC3HDAC6CASP3RAB9A
SCHEMBL21812758 0.78 HDAC3 (0.49) HDAC1HDAC3HDAC6CASP3RAB9A

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
WO-2020064175-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION ANTABIO SAS (FR) 2020-04-02 WO disclosed
EP-3628672-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION Antabio SAS (FR) 2020-04-01 EP disclosed