SCHEMBL2644667

SCHEMBL2644667

[c]1nccnc1-n1cccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
LMNA P02545 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
G6PD P11413 1/20 0.38
NOTUM Q6P988 1/20 0.37
TDO2 P48775 1/20 0.37
MAPK1 P28482 2/20 0.34
NPC1 O15118 2/20 0.34
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
GLA P06280 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL450353 0.72 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL296250 0.68 NOTUM (0.41) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL9900475 0.65 KDM4E (0.48) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL29606764 0.65 KDM4E (0.64) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL904382 0.65 KDM4E (0.64) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL32810 0.64 KDM4E (0.46) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL14576724 0.63 MAPK1 (0.45) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL29040990 0.63 NOTUM (0.41) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL2589374 0.63 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL17444514 0.63 KDM4E (0.41) ALDH1A1KDM4ELMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934281-B1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA- A? RECEPTOR MODULATORS NEUROSEARCH AS (DK) 2010-01-06 EP disclosed
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-0934281-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA- A? RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1999-08-11 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
WO-1998017651-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA-A RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1998-04-30 WO 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