SCHEMBL4679253

SCHEMBL4679253

Cn1nc(-c2ccc(C(F)(F)F)cc2)cc1/N=C/c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 2/20 0.34
TOP1 P11387 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
ASIC1 P78348 2/20 0.33
GRM5 P41594 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
RAD51 Q06609 1/20 0.33
MAOB P27338 1/20 0.33
KIF11 P52732 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
SCHEMBL4679257 1.00 RAB9A (0.36) RAB9ANPC1LMNAMAPTTOP1
SCHEMBL4679239 0.85 KDM4E (0.38) RAB9ANPC1LMNAMAPTMEN1
SCHEMBL5411282 0.85 KDM4E (0.38) RAB9ANPC1LMNAMAPTMEN1
SCHEMBL4685195 0.81 ASIC1 (0.47) RAB9ANPC1LMNAMAPTMEN1
SCHEMBL4685196 0.81 ASIC1 (0.47) RAB9ANPC1LMNAMAPTMEN1
SCHEMBL4681613 0.76 MAPT (0.40) RAB9ANPC1MAPTALDH1A1ASIC1
SCHEMBL4681607 0.76 MAPT (0.40) RAB9ANPC1MAPTALDH1A1ASIC1
SCHEMBL4744870 0.76 TOP1 (0.39) RAB9ANPC1LMNAMAPTTOP1
SCHEMBL14445915 0.76 TOP1 (0.39) RAB9ANPC1LMNAMAPTTOP1
SCHEMBL14445900 0.73 MAPT (0.42) RAB9ANPC1LMNAMAPTMEN1

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-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
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed