SCHEMBL2649652

SCHEMBL2649652

CC(=O)c1ccc2[nH]c(-c3cccc(Br)c3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.61
HDAC3 O15379 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
KDM4E B2RXH2 6/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
RECQL P46063 1/20 0.50
ATM Q13315 1/20 0.50
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.48
HSD17B10 Q99714 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
SCHEMBL2649653 0.90 HDAC6 (0.76) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2341758 0.88 KDM4E (0.64) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL15223745 0.85 KDM4E (0.60) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2432429 0.83 MMP2 (0.61) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6450741 0.82 NPBWR1 (0.60) HDAC6KDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL14601528 0.82 NPBWR1 (0.48) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2090649 0.80 HDAC3 (0.54) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL17672255 0.79 KDM4E (0.77) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL15223747 0.79 NPBWR1 (0.53) KDM4EKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL31533522 0.78 KDM4E (0.72) HDAC6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821682-B1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA-A RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2000-07-19 EP disclosed
US-5922725-A Benzimidazole compounds and their use as modulators of the GABAA receptor complex NEUROSEARCH A/S (DK) 1999-07-13 US disclosed
EP-0821682-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1998-02-04 EP disclosed
WO-1996033191-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1996-10-24 WO disclosed