SCHEMBL3357437

SCHEMBL3357437

Nc1cc(Cc2cc(N)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.Nc1ccccc1Sc1cc(Sc2ccccc2N)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 9/20 0.58
MAPT P10636 5/20 0.57
LMNA P02545 4/20 0.57
SMN1; SMN2 Q16637 1/20 0.47
SLC6A4 P31645 2/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PDE7B Q9NP56 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL3357441 0.90 PDE7A (0.48) PDE7AMAPTLMNASMN1; SMN2SLC6A4
SCHEMBL30605799 0.82 PDE7A (0.86) PDE7AMAPTLMNASMN1; SMN2SLC6A4
SCHEMBL866726 0.82 PDE7A (0.86) PDE7AMAPTLMNASMN1; SMN2SLC6A4
SCHEMBL864952 0.73 MAPT (0.79) PDE7AMAPTLMNASMN1; SMN2POLB
SCHEMBL30605781 0.73 MAPT (0.79) PDE7AMAPTLMNASMN1; SMN2POLB
SCHEMBL8095611 0.67 PDE7A (1.00) PDE7AMAPTLMNASMN1; SMN2SLC6A4
SCHEMBL7607819 0.67 PDE7A (1.00) PDE7AMAPTLMNASMN1; SMN2POLB
SCHEMBL1455439 0.67 PDE7A (0.74) PDE7AMAPTLMNASMN1; SMN2POLB
SCHEMBL864911 0.66 IDO1 (0.47) MAPTALDH1A1
SCHEMBL5141111 0.65 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