SCHEMBL7069977

SCHEMBL7069977

Cc1nc(-c2ccc(CC(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)cc2)no1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 12/20 0.55
MEN1 O00255 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
GAA P10253 7/20 0.55
SMN1; SMN2 Q16637 7/20 0.55
LMNA P02545 6/20 0.55
ALDH1A1 P00352 4/20 0.55
HTT P42858 2/20 0.54
NPSR1 Q6W5P4 1/20 0.51
ATM Q13315 1/20 0.51
DGAT1 O75907 1/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL7069975 0.90 GAA (0.60) PKMKMT2AGAASMN1; SMN2LMNA
SCHEMBL7075108 0.88 GAA (0.48) PKMGAASMN1; SMN2LMNAALDH1A1
SCHEMBL7075993 0.87 ATM (0.66) PKMMEN1RAB9AKMT2AGAA
SCHEMBL7076669 0.87 GAA (0.53) PKMKMT2AGAASMN1; SMN2LMNA
SCHEMBL7076852 0.86 MAPT (0.54) PKMKMT2AGAASMN1; SMN2LMNA
SCHEMBL7071584 0.85 GAA (0.52) PKMKMT2AGAASMN1; SMN2LMNA
SCHEMBL7074071 0.85 KDM4E (0.56) PKMMEN1KMT2AGAASMN1; SMN2
SCHEMBL7070017 0.84 DGAT1 (0.50) PKMMEN1KMT2AGAASMN1; SMN2
SCHEMBL7654110 0.84 LMNA (0.53) PKMMEN1RAB9AKMT2AGAA
SCHEMBL10064232 0.83 PKM (0.74) PKMMEN1RAB9AKMT2AGAA

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-1025086-B1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-06-25 EP disclosed
US-6492368-B1 Benzamidine derivatives as factor XA inhibitors MERCK PATENT GMBH (DE) 2002-12-10 US disclosed