SCHEMBL15512469

SCHEMBL15512469

S=C(NCCCCCN(Cc1ccccn1)Cc1ccccn1)Nc1ccc(S)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 5/20 0.48
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
HPGD P15428 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LIN28A Q9H9Z2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL10261443 0.89 SMN1; SMN2 (0.51) SMN1; SMN2HTTMAPTALDH1A1KMT2A
SCHEMBL2474574 0.85 CA1 (0.69) SMN1; SMN2HTTMAPTALDH1A1KMT2A
SCHEMBL2839421 0.85 CA1 (0.69) SMN1; SMN2HTTMAPTALDH1A1KMT2A
SCHEMBL10261411 0.82 SMN1; SMN2 (0.44) SMN1; SMN2HTTMAPTALDH1A1KMT2A
SCHEMBL3410189 0.79 CA1 (0.61) SMN1; SMN2HTTMAPTALDH1A1KMT2A
SCHEMBL2469928 0.78 CA1 (0.62) SMN1; SMN2MAPTALDH1A1LMNACA1
SCHEMBL15512287 0.78 NPC1 (0.42) SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL2471917 0.75 SMN1; SMN2 (0.55) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL3410024 0.75 SMN1; SMN2 (0.55) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL13769050 0.74 MAPT (0.66) SMN1; SMN2HTTMAPTALDH1A1KMT2A

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-2706057-B1 Bis(imidazolyl)compounds and radionuclide complexes MOLECULAR INSIGHT PHARM INC (US) 2016-04-20 EP disclosed
EP-2706057-A1 Bis(imidazolyl)compounds and radionuclide complexes Molecular Insight Pharmaceuticals, Inc. (US) 2014-03-12 EP disclosed