SCHEMBL5680280

SCHEMBL5680280

NC(=O)Cc1cccc(-c2cccnc2F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 1/20 0.45
GSK3B P49841 1/20 0.41
DHODH Q02127 1/20 0.40
CYP11B2 P19099 1/20 0.40
BACE1 P56817 7/20 0.40
CTSD P07339 6/20 0.40
BACE2 Q9Y5Z0 6/20 0.40
PLA2G10 O15496 1/20 0.40
PLA2G2A P14555 1/20 0.40
POLQ O75417 1/20 0.39
DYRK1A Q13627 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
STAT1 P42224 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MAP4K4 O95819 1/20 0.38
RORC P51449 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
SCHEMBL16675779 0.81 PRKCI (0.51) GSK3BDHODHCYP11B2
SCHEMBL5849946 0.76 CYP11B2 (0.41) GSK3BDHODHCYP11B2BACE1CTSD
SCHEMBL28943563 0.75 PLA2G10 (0.47) EPHB4PLA2G10PLA2G2APOLQNPC1
SCHEMBL15782613 0.74 ICMT (0.55)
SCHEMBL5176875 0.74 EPHX2 (0.55) BACE1
SCHEMBL944215 0.74 MKNK1 (0.44) GSK3BDHODHCYP11B2BACE1CTSD
SCHEMBL31310183 0.74 HTR7 (0.60) PLA2G10PLA2G2ARORC
SCHEMBL5677385 0.73 EPHB4 (0.46) EPHB4DHODHNPC1HPGDNFKB1
SCHEMBL26785258 0.72 MAP4K4 (0.69) CYP11B2BACE1CTSDBACE2NPC1
SCHEMBL254913 0.72 RORC (0.54) PLA2G10PLA2G2ANPC1HPGDNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565190-A4 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2006-04-26 EP disclosed
EP-1565190-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-08-24 EP disclosed
WO-2004047738-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 WO disclosed