SCHEMBL2567104

SCHEMBL2567104

CCC(C=C1C(=O)Nc2cc(C(N)=O)ccc21)N(C)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MPI P34949 1/20 0.39
BLM P54132 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TGM2 P21980 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP2 O95551 2/20 0.36
PDPK1 O15530 1/20 0.35
GSK3B P49841 3/20 0.35
METAP1 P53582 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
LMNA P02545 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
SCHEMBL3157679 0.70 PDPK1 (0.42) TGM2PDPK1
SCHEMBL3147662 0.68 SMN1; SMN2 (0.43) TSHRALDH1A1MAPTGAAMEN1
SCHEMBL2567808 0.66 TGM2 (0.38) MAPTTGM2PDPK1
SCHEMBL3156405 0.66 PDPK1 (0.44) TGM2PDPK1
SCHEMBL3148743 0.65 PIM1 (0.46) TGM2MEN1KMT2APDPK1
SCHEMBL3160648 0.65 PDPK1 (0.44) ALDH1A1MAPTTGM2MEN1KMT2A
SCHEMBL3160654 0.65 PDPK1 (0.44) ALDH1A1MAPTTGM2MEN1KMT2A
SCHEMBL2572615 0.64 FLT3 (0.42) TGM2PDPK1
SCHEMBL3160871 0.64 KMT2A (0.41) ALDH1A1MAPTL3MBTL1TGM2KMT2A
Isobutane SCHEMBL6119723 0.63 TSHR (0.87) TSHRALDH1A1MAPTPOLBMEN1

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-2384751-A1 Medicaments for the treatment or prevention of fibrotic diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-09 EP disclosed