SCHEMBL7026237

SCHEMBL7026237

CC(=O)Nc1cc(C)c(Br)c(C)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
ADORA3 P0DMS8 10/20 0.43
ADORA2A P29274 3/20 0.41
ADORA1 P30542 2/20 0.41
ADORA2B P29275 1/20 0.41
NUDT1 P36639 2/20 0.40
PIK3CG P48736 1/20 0.40
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
SORT1 Q99523 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 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
SCHEMBL7930449 0.80 MAPT (0.41) ALDH1A1RAB9AL3MBTL1MAPK1LMNA
SCHEMBL4733265 0.77 CNR2 (0.46) ALDH1A1RAB9AL3MBTL1NPC1LMNA
SCHEMBL23998421 0.73 PIK3CG (0.47) ALDH1A1L3MBTL1ADORA3ADORA2AADORA1
SCHEMBL2972209 0.73 ADORA3 (0.47) ALDH1A1RAB9AL3MBTL1ADORA3ADORA2A
SCHEMBL29383895 0.73 PIK3CG (0.47) ALDH1A1L3MBTL1ADORA3ADORA2AADORA1
SCHEMBL1269767 0.73 RAB9A (0.60) ALDH1A1RAB9AL3MBTL1NPC1MAPK1
SCHEMBL18658437 0.72 ADORA3 (0.54) L3MBTL1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL24254975 0.72 ADORA3 (0.44) L3MBTL1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL9753194 0.72 SORT1 (0.53) ALDH1A1RAB9AL3MBTL1ADORA3ADORA2A
SCHEMBL358579 0.71 L3MBTL1 (0.53) RAB9AL3MBTL1PIK3CGNPC1KDM4E

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-0530524-B1 Method of producing 2-amino-3-nitro-5-halogenopyridine ICHIKAWA GOSEI KAGAKU KK (JP) 2003-02-05 EP disclosed
US-5453512-A Bromination of acylaminopyridine with 2-acylaminopyridinium hydorbromide ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1995-09-26 US disclosed
US-5290943-A Halogenation of pyridine compound ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1994-03-01 US disclosed
EP-0530524-A1 Method of producing 2-amino-3-nitro-5-halogenopyridine ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1993-03-10 EP disclosed