SCHEMBL21812652

SCHEMBL21812652

CC(C)(C)OC(=O)NCc1nc(-c2ccc(Br)cc2)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
HDAC3 O15379 5/20 0.52
HDAC1 Q13547 5/20 0.52
HDAC6 Q9UBN7 5/20 0.52
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
RAB9A P51151 6/20 0.48
MAPT P10636 6/20 0.48
ALDH1A1 P00352 5/20 0.48
NPC1 O15118 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL21812750 0.89 HDAC3 (0.50) LMNAHDAC3HDAC1HDAC6RAB9A
SCHEMBL21812580 0.88 HDAC3 (0.50) LMNAHDAC3HDAC1HDAC6HDAC4
SCHEMBL21812758 0.88 HDAC3 (0.49) LMNAHDAC3HDAC1HDAC6HDAC4
SCHEMBL21812678 0.88 MAPK1 (0.53) LMNAHDAC3HDAC1HDAC6HDAC4
SCHEMBL21812888 0.87 RAB9A (0.49) LMNAHDAC3HDAC1HDAC6RAB9A
SCHEMBL21916983 0.86 HDAC3 (0.48) LMNAHDAC3HDAC1HDAC6HDAC4
SCHEMBL21813181 0.86 HDAC3 (0.48) LMNAHDAC3HDAC1HDAC6HDAC4
SCHEMBL21812694 0.84 ALDH1A1 (0.57) LMNAHDAC3HDAC1HDAC6RAB9A
SCHEMBL21812781 0.84 HDAC3 (0.47) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL21812803 0.84 HDAC3 (0.48) HDAC3HDAC1HDAC6RAB9AMAPT

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 3 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
EP-3628672-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION Antabio SAS (FR) 2020-04-01 EP disclosed