SCHEMBL4490158

SCHEMBL4490158

CCN1/C(=C\C=C\C=C2C(=O)N(C)C(=S)N(C)C2=O)Sc2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 14/20 0.73
KMT2A Q03164 14/20 0.73
MAPT P10636 11/20 0.73
ALDH1A1 P00352 8/20 0.73
NPC1 O15118 6/20 0.73
MAPK1 P28482 5/20 0.73
RAB9A P51151 5/20 0.73
THRB P10828 3/20 0.73
SMN1; SMN2 Q16637 4/20 0.61
LMNA P02545 2/20 0.58
OPRK1 P41145 1/20 0.53
USP2 O75604 4/20 0.51
CRHBP P24387 2/20 0.51
CRHR2 Q13324 2/20 0.51
IDE P14735 1/20 0.51
HTT P42858 4/20 0.48
HPGD P15428 2/20 0.48
BLM P54132 3/20 0.47
NPSR1 Q6W5P4 2/20 0.46
RECQL P46063 2/20 0.46

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
SCHEMBL4490166 1.00 MEN1 (0.73) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL13709032 0.83 MEN1 (0.69) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL4505264 0.82 HPGD (0.58) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL4505267 0.82 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL4505272 0.82 HPGD (0.58) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL13026070 0.82 KMT2A (0.87) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL10036033 0.80 MEN1 (0.87) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL10036009 0.80 MEN1 (0.76) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL11688300 0.80 MEN1 (0.76) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL11688292 0.80 MEN1 (0.76) MEN1KMT2AMAPTALDH1A1NPC1

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-7592188-B2 environmentally sensitive fluorescent dye covalently linked to a binding domain which has specific affinity for a target molecule; fluorescence resonance energy transfer; detecting changes in the binding, conformational change; detecting human immunodeficiency virus THE SCRIPPS RESEARCH INSTITUTE (US) 2009-09-22 US disclosed