SCHEMBL2643591

SCHEMBL2643591

Ic1ccc2c(c1)ncn2-c1cccc(-c2nccs2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 9/20 0.41
PDPK1 O15530 1/20 0.40
HTT P42858 1/20 0.38
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL2652183 0.83 LOXL2 (0.52) FGFR1PDPK1HTTGABRA1GABRG2
SCHEMBL2643675 0.83 GABRA1 (0.48) FGFR1PDPK1GABRA1GABRG2GABRB3
SCHEMBL2644317 0.83 FGFR1 (0.53) FGFR1PDPK1GABRA1GABRG2GABRB3
SCHEMBL2655366 0.83 PDPK1 (0.40) FGFR1PDPK1HTTGABRA1GABRG2
SCHEMBL2655035 0.82 HPGD (0.38) FGFR1PDPK1GABRA1GABRG2GABRB3
SCHEMBL2648511 0.81 FGFR1 (0.62) FGFR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL2644783 0.81 ALDH1A1 (0.62) FGFR1HTTALDH1A1HPGDKDM4E
SCHEMBL2652257 0.81 FGFR1 (0.41) FGFR1PDPK1GABRA1GABRG2GABRB3
SCHEMBL2657102 0.80 FFAR1 (0.41) FGFR1PDPK1GABRA1GABRG2GABRB3
SCHEMBL2643926 0.80 KDR (0.38) FGFR1PDPK1GABRA1GABRG2GABRB3

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