SCHEMBL2645149

SCHEMBL2645149

c1cc(-c2ccncn2)cc(-n2cnc3cc(-c4ccon4)ccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDR P35968 1/20 0.38
PTK2B Q14289 1/20 0.38
DHFR P00374 1/20 0.37
GABRA1 P14867 4/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 1/20 0.37

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
SCHEMBL2643019 0.85 GABRA1 (0.52) KDRGABRA1GABRG2GABRB3GABRA5
SCHEMBL2643520 0.82 KDR (0.38) HTTMAPTKMT2ANPSR1CYP1A2
SCHEMBL2649530 0.81 KDR (0.37) MAPTKMT2ANPSR1CYP1A2CYP3A4
SCHEMBL8232331 0.81 MEN1 (0.43) KMT2AKDRALDH1A1HPGDFGFR1
SCHEMBL2643461 0.81 IDO1 (0.40) HTTMAPTKMT2ANPSR1CYP3A4
SCHEMBL2648609 0.78 GRM5 (0.52) CYP1A2CYP3A4CYP2C19DHFRGABRA1
SCHEMBL2654510 0.78 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2644392 0.78 FGFR1 (0.53) HTTMAPTKMT2ANPSR1DHFR
SCHEMBL2654673 0.78 FGFR1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2653249 0.77 HPGD (0.38) MAPTGABRA1GABRG2GABRB3GABRA5

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-1164134-A1 Benzimidazole compounds and their use as modulators of the GABA A receptor complex NEUROSEARCH A/S (DK) 2001-12-19 EP claimed
US-5922724-A Benzimidazole compounds and their use as modulators of the GABA a receptor complex NEUROSEARCH A/S (DK) 1999-07-13 US claimed
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