SCHEMBL7820174

SCHEMBL7820174

CN(C)c1ncc(-c2cccc(-n3cnc4cc(-c5ccco5)ccc43)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.42
ATM Q13315 1/20 0.40
DHFR P00374 1/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALOX5 P09917 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 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
GABRA2 P47869 1/20 0.38
HPGD P15428 3/20 0.37
GRM5 P41594 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
SCHEMBL7819811 0.86 FGFR1 (0.41) KDRATMALDH1A1NPC1RAB9A
SCHEMBL2643592 0.84 KDR (0.42) KDRATMDHFRALDH1A1LMNA
SCHEMBL2646102 0.82 GABRA1 (0.52) KDRATMALDH1A1NPC1RAB9A
SCHEMBL2661511 0.80 DHFR (0.41) KDRDHFRALDH1A1GABRA1GABRG2
SCHEMBL2643844 0.78 GRM5 (0.53) KDRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7832246 0.77 ALDH1A1 (0.42) KDRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7828544 0.74 ALDH1A1 (0.42) KDRATMALDH1A1NPC1RAB9A
SCHEMBL7819821 0.70 KDR (0.49) KDRALDH1A1GABRA1GABRG2GABRB3
SCHEMBL7828198 0.70 NT5E (0.43) KDRALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL2644075 0.69 GABRA1 (0.52) KDRGABRA1GABRG2GABRB3GABRA5

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 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