SCHEMBL7264203

SCHEMBL7264203

Brc1c(-c2ccccc2)ccnc1-c1nccc(-c2ccccc2)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
CDK5 Q00535 2/20 0.43
LRRK2 Q5S007 2/20 0.43
MAPK1 P28482 2/20 0.43
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43
CSF1R P07333 1/20 0.43
RET P07949 1/20 0.43
IGF1R P08069 1/20 0.43
FGFR1 P11362 1/20 0.43
PRKACA P17612 1/20 0.43
FLT1 P17948 1/20 0.43
LTK P29376 1/20 0.43
GRK5 P34947 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL7264137 0.83 ALDH1A1 (0.43) ALDH1A1CDK5LRRK2MAPK1IKBKB
SCHEMBL28175819 0.79 GSK3B (0.45) ALDH1A1CDK5LRRK2MAPK1IKBKB
SCHEMBL25120690 0.79 RPS6KA3 (0.41) ALDH1A1CDK5LRRK2MAPK1IKBKB
SCHEMBL7264143 0.74 HTR2B (0.41) ALDH1A1CDK5MAPK1PRKD3MAP4K4
SCHEMBL996432 0.74 CCNA2 (0.45) ALDH1A1CDK5LRRK2IKBKBCHUK
SCHEMBL28317500 0.74 CDK2 (0.52) ALDH1A1CDK5LRRK2MAPK1IKBKB
SCHEMBL25862086 0.73 ALDH1A1 (0.57) ALDH1A1MAPK1L3MBTL1HSD17B10NPC1
SCHEMBL1683245 0.72 LRRK2 (0.42) ALDH1A1CDK5LRRK2MAPK1IKBKB
SCHEMBL321472 0.72 CCNA2 (0.44) ALDH1A1CDK5LRRK2IKBKBCHUK
SCHEMBL8444233 0.72 CCNA2 (0.44) ALDH1A1CDK5LRRK2IKBKBCHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1006135-B1 Conjugated N-fluoropyridinium salt-containing polymer and use of the same DAIKIN IND LTD (JP) 2003-02-12 EP disclosed
EP-0787719-B1 CONJUGATED N-FLUOROPYRIDINIUM SALT POLYMER AND USE THEREOF DAIKIN IND LTD (JP) 2001-08-16 EP disclosed
EP-1006135-A1 Conjugated N-fluoropyridinium salt-containing polymer and use of the same DAIKIN INDUSTRIES, LIMITED (JP) 2000-06-07 EP disclosed
US-5736274-A ANODE ACTIVE MATERIAL AND SOLID ELECTROLYTE FOR BATTERIES; HIGH ELECTROMOTIVE FORCE; HIGH ENERGY DENSITY; POLLUTION CONTROL; FLUORINATING AGENTS; LOW INTERNAL RESISTANCE IN CHARGING AND DISCHARGING DAIKIN INDUSTRIES, LTD. (JP) 1998-04-07 US disclosed
EP-0787719-A1 CONJUGATED N-FLUOROPYRIDINIUM SALT POLYMER AND USE THEREOF DAIKIN INDUSTRIES, LTD. (JP) 1997-08-06 EP disclosed