SCHEMBL2901560

SCHEMBL2901560

Cc1ccc(-c2nc3ccccc3n2Cc2c(C)cccc2C)c(OCC(N)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 2/20 0.41
PLA2G2A P14555 2/20 0.41
TP53 P04637 4/20 0.41
MAPT P10636 3/20 0.40
PDPK1 O15530 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
TSHR P16473 3/20 0.39
TNF P01375 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL2907639 0.90 PLA2G2A (0.44) NPSR1LMNAKDM4EHTTKMT2A
SCHEMBL639847 0.90 KDM4E (0.50) NPSR1LMNAKDM4EHTTKMT2A
SCHEMBL2902355 0.90 HTT (0.44) NPSR1LMNAKDM4EHTTKMT2A
SCHEMBL2910004 0.84 ALDH1A1 (0.45) NPSR1LMNAKDM4EHTTKMT2A
SCHEMBL2906933 0.83 NPSR1 (0.53) NPSR1LMNAKDM4EHTTKMT2A
SCHEMBL2905631 0.82 LMNA (0.51) NPSR1LMNAKDM4EHTTPLA2G2A
SCHEMBL638972 0.82 BRD4 (0.41) NPSR1LMNAKDM4EHTTKMT2A
SCHEMBL2901531 0.81 PLA2G2A (0.44) NPSR1LMNAKDM4EHTTKMT2A
SCHEMBL2905371 0.81 POLB (0.46) NPSR1LMNAKDM4EHTTKMT2A
SCHEMBL2903474 0.80 KMT2A (0.42) NPSR1LMNAKDM4EHTTKMT2A

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
EP-2121627-B1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2010-08-18 EP claimed