SCHEMBL2643742

SCHEMBL2643742

Nc1ncc(-c2cccc(Nc3ccc(-c4ccoc4)cc3N)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.42
MEN1 O00255 5/20 0.40
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 5/20 0.40
USP2 O75604 4/20 0.40
CYP2D6 P10635 4/20 0.40
CYP2C19 P33261 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CLK4 Q9HAZ1 3/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
HDAC1 Q13547 1/20 0.39
CNR1 P21554 1/20 0.39
SERPINE1 P05121 1/20 0.39
HDAC2 Q92769 3/20 0.39
FYN P06241 1/20 0.36
TP53 P04637 1/20 0.36
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 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
SCHEMBL7834583 0.90 ALDH1A1 (0.37) MAP4K4MEN1ALDH1A1KMT2AUSP2
SCHEMBL7820330 0.83 MAPT (0.40) MAP4K4MEN1ALDH1A1KMT2AUSP2
SCHEMBL7834286 0.82 ALK (0.46) MAP4K4HDAC2ALKCHEK1HDAC3
SCHEMBL2643659 0.81 HDAC2 (0.43) MAP4K4MEN1ALDH1A1KMT2AUSP2
SCHEMBL9071943 0.81 HDAC2 (0.41) MEN1ALDH1A1KMT2AUSP2CYP2D6
SCHEMBL2643656 0.81 HDAC2 (0.41) MEN1ALDH1A1KMT2AUSP2CYP2D6
SCHEMBL2643607 0.78 HDAC2 (0.39) MEN1ALDH1A1KMT2AUSP2CYP2D6
SCHEMBL2643778 0.77 GAA (0.54) MEN1ALDH1A1KMT2AHDAC1SERPINE1
SCHEMBL7829252 0.75 ABL1 (0.46) MEN1ALDH1A1KMT2AUSP2CYP2D6
SCHEMBL2643125 0.75 SYK (0.37) MAP4K4MEN1ALDH1A1KMT2AUSP2

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 5 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
EP-0821684-B1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2001-12-05 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