SCHEMBL4439611

SCHEMBL4439611

Nc1cccc(C2(c3cccc(N)c3O)c3cc(C#Cc4ccccc4)ccc3-c3ccc(C#Cc4ccccc4)cc32)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HNF4A P41235 1/20 0.37
PDE4D Q08499 4/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35

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
SCHEMBL2707919 0.77 PDE4D (0.43) GRM5MAPTKDM4EMEN1NPC1
SCHEMBL19326650 0.77 SMN1; SMN2 (0.47) MAPTKDM4EMEN1ALDH1A1CYP3A4
SCHEMBL3146256 0.74 MAPT (0.56) GRM5MAPTKDM4EMEN1NPC1
SCHEMBL18184907 0.72 PDE4D (0.50) GRM5MAPTKDM4EMEN1KMT2A
SCHEMBL3675046 0.71 ESR1 (0.41) GRM5MAPTKDM4EMEN1NPC1
SCHEMBL2709285 0.70 PDE4D (0.43) GRM5HNF4APDE4DFFAR1PDK2
SCHEMBL5667265 0.70 SMN1; SMN2 (0.47) MAPTKDM4EMEN1ALDH1A1CYP3A4
SCHEMBL4439613 0.68 PDK2 (0.37) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL12330600 0.68 GRM5 (0.38) GRM5MAPTKDM4EALDH1A1CYP1A2
SCHEMBL11193377 0.67 HNF4A (0.58) GRM5MAPTKDM4EMEN1NPC1

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
US-7608928-B2 Laminated body and semiconductor device JSR CORPORATION (JP) 2009-10-27 US disclosed
US-20080044664-A1 Laminated Body and Semiconductor Drive JSR CORPORATION (JP) 2008-02-21 US disclosed
EP-1760774-A1 LAMINATED BODY AND SEMICONDUCTOR DEVICE JSR Corporation (JP) 2007-03-07 EP disclosed