SCHEMBL18176027

SCHEMBL18176027

CC(=O)c1cc(N)nc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.40
HTR6 P50406 2/20 0.35
LMNA P02545 1/20 0.34
PRKCI P41743 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33

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
SCHEMBL5763879 0.85 CA5A (0.48) CA5ALMNASMN1; SMN2NPC1RAB9A
SCHEMBL20488853 0.79 KDM4E (0.55) LMNAMAPTTSHRCA2ALDH1A1
SCHEMBL4927775 0.78 NPC1 (0.43) CA5ALMNASMN1; SMN2NPC1RAB9A
SCHEMBL18266234 0.78 NOS2 (0.50) CA5ALMNAPRKCISMN1; SMN2NPC1
SCHEMBL6251916 0.76 CA5A (0.40) CA5ALMNAPRKCIGABRPGABRD
SCHEMBL26690039 0.74 ALOX15 (0.52) CA5ALMNASMN1; SMN2MAPTTSHR
SCHEMBL25928593 0.73 CA5A (0.38) CA5ALMNASMN1; SMN2NPC1RAB9A
SCHEMBL28223775 0.71 KMT2A (0.39) HTR6LMNAPRKCISMN1; SMN2NPC1
SCHEMBL26690129 0.71 KDM4E (0.44) CA5ALMNASMN1; SMN2MAPTCA2
SCHEMBL5104318 0.70 GSK3B (0.57) CA5ALMNAPRKCISMN1; SMN2NPC1

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-2417120-B1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed