SCHEMBL14822720

SCHEMBL14822720

Cc1cc(C)c2c(c1)OC(C)(C)N=C2c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
HTT P42858 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
APP P05067 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL3023183 0.86 MEN1 (0.35) APP
SCHEMBL14666702 0.81 ALOX5 (0.31)
SCHEMBL3019474 0.80 NR3C2 (0.42) TSHRMAPT
SCHEMBL3029492 0.77 DGAT1 (0.33)
SCHEMBL3027011 0.75 RIPK2 (0.32)
SCHEMBL3030882 0.73 AR (0.32)
SCHEMBL13430988 0.70 PTGS1 (0.32) HTTMAPTAPP
SCHEMBL3027955 0.69 APP (0.34) NPC1RAB9AMAPTAPPSMN1; SMN2
SCHEMBL30507312 0.69 ACHE (0.48) APPFFAR4MAPK14
SCHEMBL3030497 0.69 NR3C2 (0.41) TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed