SCHEMBL2649640

SCHEMBL2649640

CSc1sc(NC(=O)Nc2ccc(C)cc2C(=O)C2CCCC2)nc1CSc1ccccc1.CSc1sc(NC(=O)Nc2ccccc2C(=O)C2CCCC2)nc1CSc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
ALDH1A1 P00352 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NTRK1 P04629 3/20 0.35
NTRK2 Q16620 3/20 0.35
MAPK1 P28482 1/20 0.35
IDO1 P14902 1/20 0.34
LMNA P02545 3/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
P2RY1 P47900 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL1341182 0.98 MAPT (0.36) MAPTALDH1A1RXFP1NTRK1NTRK2
SCHEMBL1341345 0.93 RXFP1 (0.39) MAPTALDH1A1RXFP1NTRK1NTRK2
SCHEMBL1339961 0.90 NPC1 (0.38) MAPTALDH1A1RXFP1NTRK1NTRK2
SCHEMBL1339994 0.90 MAPT (0.37) MAPTALDH1A1RXFP1NTRK1NTRK2
SCHEMBL1341071 0.88 MAPT (0.41) MAPTALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL1342823 0.88 MAPT (0.36) MAPTALDH1A1RXFP1LMNARAB9A
SCHEMBL1341154 0.88 MAPT (0.37) MAPTALDH1A1NTRK1NTRK2MAPK1
SCHEMBL1342721 0.88 MAPT (0.38) MAPTALDH1A1NTRK1NTRK2MAPK1
SCHEMBL1341266 0.88 CCR2 (0.38) MAPTRXFP1NTRK1NTRK2
SCHEMBL1342759 0.87 MAPT (0.37) MAPTALDH1A1NTRK1NTRK2RAB9A

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