SCHEMBL7074246

SCHEMBL7074246

COc1ccc(NC(=O)ON2CCN(C(=O)c3ccc(-c4noc(C)n4)cc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.52
HPGD P15428 3/20 0.52
HTT P42858 3/20 0.52
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
MGLL Q99685 1/20 0.45
GAA P10253 2/20 0.45
USP2 O75604 1/20 0.45
CYP3A4 P08684 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL7076841 0.89 MGLL (0.54) LMNAHPGDHTTALDH1A1SMN1; SMN2
SCHEMBL7648133 0.88 MAPT (0.59) LMNAHPGDHTTALDH1A1SMN1; SMN2
SCHEMBL7070524 0.87 STAT3 (0.52) LMNAHPGDHTT
SCHEMBL7073874 0.86 MAPT (0.52) LMNAHPGDHTTALDH1A1SMN1; SMN2
SCHEMBL7071875 0.80 MAPT (0.51) LMNAHPGDHTTALDH1A1SMN1; SMN2
SCHEMBL7070301 0.80 MGLL (0.52) LMNAHPGDALDH1A1POLBMGLL
SCHEMBL7077120 0.79 MGLL (0.47) LMNAMGLLTSHRNFKB1RAB9A
SCHEMBL7071622 0.78 SMYD3 (0.50) LMNAMEN1KMT2AMGLL
SCHEMBL7074195 0.78 HPGD (0.54) HPGDALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL7069983 0.78 LMNA (0.58) LMNAHTTALDH1A1SMN1; SMN2MAPT

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-1025086-B1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-06-25 EP disclosed