SCHEMBL4681607

SCHEMBL4681607

COc1ccc(/C=N/c2cc(-c3ccc(C(F)(F)F)cc3)nn2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
KDM4E B2RXH2 3/20 0.40
ASIC1 P78348 3/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 2/20 0.40
ACP1 P24666 1/20 0.40
USP2 O75604 1/20 0.40
F2RL3 Q96RI0 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39

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
SCHEMBL4681613 1.00 MAPT (0.40) MAPTKDM4EASIC1POLBALDH1A1
SCHEMBL4685195 0.87 ASIC1 (0.47) MAPTKDM4EASIC1ALDH1A1NPC1
SCHEMBL4685196 0.87 ASIC1 (0.47) MAPTKDM4EASIC1ALDH1A1NPC1
SCHEMBL4679239 0.80 KDM4E (0.38) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL5411282 0.80 KDM4E (0.38) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL4744870 0.80 TOP1 (0.39) MAPTASIC1ALDH1A1NPC1RAB9A
SCHEMBL14445915 0.80 TOP1 (0.39) MAPTASIC1ALDH1A1NPC1RAB9A
SCHEMBL4679253 0.76 RAB9A (0.36) MAPTASIC1ALDH1A1NPC1RAB9A
SCHEMBL4679257 0.76 RAB9A (0.36) MAPTASIC1ALDH1A1NPC1RAB9A
SCHEMBL20871240 0.73 S100B (0.64) MAPTKDM4EPOLBALDH1A1RAB9A

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-1513796-B1 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORP (US) 2008-02-13 EP disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed