SCHEMBL2651284

SCHEMBL2651284

Cc1ccc(NC(=O)Nc2nc(CSc3ccccc3)c(Sc3nnnn3C)s2)c(C(=O)C2CCCC2)c1.Cn1nnnc1Sc1sc(NC(=O)Nc2ccccc2C(=O)C2CCCC2)nc1CSc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 6/20 0.36
KMT2A Q03164 1/20 0.36
NTRK1 P04629 3/20 0.36
NTRK2 Q16620 3/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 4/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL1340477 0.99 LMNA (0.39) LMNATSHRALDH1A1KMT2ANTRK1
SCHEMBL1342725 0.94 NPC1 (0.39) LMNATSHRALDH1A1KMT2ANPC1
SCHEMBL1343490 0.91 L3MBTL1 (0.36) LMNATSHRALDH1A1KMT2ANTRK1
SCHEMBL1342293 0.91 NPC1 (0.36) LMNATSHRALDH1A1KMT2ANTRK1
SCHEMBL1343660 0.90 NPC1 (0.35) LMNATSHRALDH1A1KMT2ANPC1
SCHEMBL1342386 0.90 MAPT (0.42) LMNAALDH1A1KMT2ANPC1RAB9A
SCHEMBL1341434 0.89 ALDH1A1 (0.39) LMNATSHRALDH1A1NTRK1NTRK2
SCHEMBL1342757 0.88 LMNA (0.40) LMNATSHRALDH1A1KMT2ANPC1
SCHEMBL1341741 0.88 NPC1 (0.36) LMNAALDH1A1KMT2ANPC1RAB9A
SCHEMBL2649640 0.87 MAPT (0.37) LMNAALDH1A1KMT2ANTRK1NTRK2

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