SCHEMBL2651700

SCHEMBL2651700

Cc1ccc(NC(=O)Nc2nc(CSc3ccccc3)c(Sc3ncc[nH]3)s2)c(C(=O)C2CCCC2)c1.O=C(Nc1nc(CSc2ccccc2)c(Sc2ncc[nH]2)s1)Nc1ccccc1C(=O)C1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
NTRK1 P04629 3/20 0.33
NTRK2 Q16620 3/20 0.33
MAPT P10636 5/20 0.33
ALDH1A1 P00352 3/20 0.33
GCK P35557 1/20 0.32
IDO1 P14902 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
LMNA P02545 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
RXFP1 Q9HBX9 2/20 0.31
RXFP2 Q8WXD0 1/20 0.31
MEN1 O00255 1/20 0.31
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL1343263 0.99 NTRK1 (0.34) PRMT5WDR77NTRK1NTRK2MAPT
SCHEMBL1341372 0.94 NTRK1 (0.34) NTRK1NTRK2MAPTALDH1A1GCK
SCHEMBL1341350 0.90 GSK3B (0.35) PRMT5WDR77NTRK1NTRK2MAPT
SCHEMBL1342304 0.90 NTRK1 (0.34) PRMT5WDR77NTRK1NTRK2MAPT
SCHEMBL1342555 0.90 MAPT (0.38) PRMT5WDR77MAPTALDH1A1SMN1; SMN2
SCHEMBL1342995 0.90 MAPT (0.34) PRMT5WDR77NTRK1NTRK2MAPT
SCHEMBL1340106 0.88 NTRK1 (0.36) NTRK1NTRK2MAPTALDH1A1RXFP1
SCHEMBL1340938 0.88 GCK (0.33) MAPTGCKKMT2A
SCHEMBL1342421 0.87 CCNE1 (0.33) PRMT5WDR77NTRK1NTRK2
SCHEMBL1342541 0.87 NTRK1 (0.33) NTRK1NTRK2MAPTALDH1A1GCK

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-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed