SCHEMBL3357441

SCHEMBL3357441

Nc1cc(Cc2cc(NNc3ccccc3Sc3cc(Sc4ccccc4N)c(Cl)cc3[N+](=O)[O-])cc(C(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 8/20 0.48
MAPT P10636 5/20 0.47
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.39
SLC6A4 P31645 2/20 0.35
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.33
PPARG P37231 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL3357437 0.90 PDE7A (0.58) PDE7AMAPTLMNASMN1; SMN2SLC6A4
SCHEMBL866726 0.73 PDE7A (0.86) PDE7AMAPTLMNASMN1; SMN2SLC6A4
SCHEMBL30605799 0.73 PDE7A (0.86) PDE7AMAPTLMNASMN1; SMN2SLC6A4
SCHEMBL30605781 0.65 MAPT (0.79) PDE7AMAPTLMNASMN1; SMN2POLB
SCHEMBL864952 0.65 MAPT (0.79) PDE7AMAPTLMNASMN1; SMN2POLB
SCHEMBL8095611 0.61 PDE7A (1.00) PDE7AMAPTLMNASMN1; SMN2SLC6A4
SCHEMBL7607819 0.60 PDE7A (1.00) PDE7AMAPTLMNASMN1; SMN2POLB
SCHEMBL1455439 0.60 PDE7A (0.74) PDE7AMAPTLMNASMN1; SMN2POLB
SCHEMBL864911 0.59 IDO1 (0.47) MAPTPPARGALDH1A1
SCHEMBL5141111 0.59 POLB (0.38) MAPTLMNASMN1; SMN2SLC6A4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152660-A2 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP Rolic AG (CH) 2010-02-17 EP disclosed
WO-2008145225-A2 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP ROLIC AG (CH) 2008-12-04 WO disclosed