SCHEMBL8975128

SCHEMBL8975128

Cc1nc(N)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.48
HSD17B10 Q99714 3/20 0.48
ADRA2A P08913 1/20 0.48
ADORA2A P29274 1/20 0.48
IKBKB O14920 1/20 0.47
KDM4E B2RXH2 4/20 0.44
RAB9A P51151 3/20 0.44
AR P10275 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL8917637 0.86 CACNB4 (0.54) HTTHSD17B10KDM4ERAB9AAR
SCHEMBL8974906 0.84 HSD17B10 (0.68) HTTHSD17B10ADRA2AADORA2AKDM4E
SCHEMBL8975579 0.81 ALDH1A1 (0.55) HTTHSD17B10ADRA2AADORA2AKDM4E
SCHEMBL8918356 0.76 ALDH1A1 (0.55) HTTHSD17B10ADRA2AADORA2AIKBKB
SCHEMBL13914270 0.75 IKBKB (0.50) HTTHSD17B10ADRA2AADORA2AIKBKB
SCHEMBL6137173 0.75 AR (0.57) HTTKDM4ERAB9AARALDH1A1
SCHEMBL6461123 0.75 KDM4E (0.60) HTTHSD17B10ADRA2AADORA2AIKBKB
SCHEMBL13913807 0.73 ADORA1 (0.48) HTTHSD17B10ADORA2AIKBKBKDM4E
SCHEMBL13913805 0.72 ADORA1 (0.66) HSD17B10ADORA2AKDM4ERXFP1ALDH1A1
SCHEMBL6252188 0.72 IKBKB (0.67) HTTHSD17B10ADORA2AIKBKBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705820-A1 6-Amino-nicotinic acid derivatives and their use as selective K-channel modulators BAYER AG (DE) 1996-04-10 EP disclosed