SCHEMBL2643659

SCHEMBL2643659

Nc1cc(-c2ccoc2)ccc1Nc1cccc(I)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.43
HDAC1 Q13547 1/20 0.39
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
USP2 O75604 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
GAA P10253 5/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 3/20 0.37
GFER P55789 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR1 P21554 1/20 0.36
SERPINE1 P05121 2/20 0.36

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
SCHEMBL9071943 0.84 HDAC2 (0.41) HDAC2HDAC1ALDH1A1MEN1KMT2A
SCHEMBL2643656 0.84 HDAC2 (0.41) HDAC2HDAC1ALDH1A1MEN1KMT2A
SCHEMBL2643742 0.81 MAP4K4 (0.42) HDAC2HDAC1ALDH1A1MEN1KMT2A
SCHEMBL2643607 0.81 HDAC2 (0.39) HDAC2HDAC1ALDH1A1MEN1KMT2A
SCHEMBL2643778 0.80 GAA (0.54) HDAC2HDAC1ALDH1A1MEN1KMT2A
SCHEMBL2643886 0.79 L3MBTL1 (0.42) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL7834583 0.77 ALDH1A1 (0.37) HDAC2HDAC1ALDH1A1MEN1KMT2A
SCHEMBL7829252 0.76 ABL1 (0.46) HDAC2HDAC1ALDH1A1MEN1KMT2A
SCHEMBL27482947 0.74 GAA (0.47) HDAC2HDAC1ALDH1A1MEN1KMT2A
SCHEMBL2643125 0.73 SYK (0.37) HDAC2HDAC1ALDH1A1MEN1KMT2A

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-1164134-A1 Benzimidazole compounds and their use as modulators of the GABA A receptor complex NEUROSEARCH A/S (DK) 2001-12-19 EP disclosed
US-5922724-A Benzimidazole compounds and their use as modulators of the GABA a receptor complex NEUROSEARCH A/S (DK) 1999-07-13 US disclosed
EP-0821684-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1998-02-04 EP disclosed
WO-1996033194-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1996-10-24 WO disclosed