SCHEMBL9725331

SCHEMBL9725331

N#Cc1ccc(-c2ccc(C#N)cc2-n2cnc3ccccc32)c(-n2cnc3ccccc32)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
POLB P06746 1/20 0.43
FGFR1 P11362 5/20 0.42
ALDH1A1 P00352 1/20 0.42
IKBKE Q14164 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41

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
SCHEMBL18083455 0.90 HTT (0.51) HTTPOLBFGFR1ALDH1A1IKBKE
SCHEMBL4952690 0.90 HTT (0.40) HTTPOLBFGFR1ALDH1A1IKBKE
SCHEMBL20879851 0.80 POLB (0.43) HTTPOLBALDH1A1IKBKE
SCHEMBL16147684 0.79 CYP11B1 (0.41) HTTPOLBFGFR1ALDH1A1IKBKE
SCHEMBL2039920 0.78 HTT (0.66) HTTFGFR1ALDH1A1MAPTKDM4E
SCHEMBL8188627 0.78 FGFR1 (0.61) HTTFGFR1GABRPGABRDGABRA1
SCHEMBL9725330 0.77 HTT (0.50) HTTPOLBFGFR1ALDH1A1MAPT
SCHEMBL23266636 0.76 HTT (0.60) HTTPOLBFGFR1ALDH1A1
SCHEMBL840022 0.75 HTT (0.51) HTTPOLBFGFR1ALDH1A1IKBKE
SCHEMBL10552778 0.75 POLB (0.55) HTTPOLBFGFR1ALDH1A1IKBKE

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
US-5081256-A Para ordered aromatic diacids containing benzimidazole groups UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1992-01-14 US disclosed