SCHEMBL7074100

SCHEMBL7074100

Cc1nc(-c2ccc(CC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4Cl)CC3)cc2)no1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
LMNA P02545 3/20 0.49
THRB P10828 1/20 0.47
HDAC4 P56524 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
DGAT1 O75907 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
CNR1 P21554 3/20 0.45
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL7075108 0.84 GAA (0.48) MAPTLMNAHDAC4HDAC6DGAT1
SCHEMBL7074627 0.82 TSHR (0.57) MAPTLMNATHRBHDAC4HDAC6
SCHEMBL7075151 0.82 HDAC4 (0.49) MAPTLMNATHRBHDAC4HDAC6
SCHEMBL7069975 0.82 GAA (0.60) MAPTLMNAHDAC4HDAC6DGAT1
SCHEMBL7070017 0.82 DGAT1 (0.50) MAPTLMNATHRBHDAC4HDAC6
SCHEMBL7076669 0.81 GAA (0.53) MAPTLMNATHRBHDAC4HDAC6
SCHEMBL7074241 0.81 HDAC4 (0.53) MAPTLMNAHDAC4HDAC6DGAT1
SCHEMBL7069977 0.80 PKM (0.55) LMNADGAT1ALDH1A1KDM4EGAA
SCHEMBL7074802 0.80 HDAC4 (0.53) MAPTLMNATHRBHDAC4HDAC6
SCHEMBL7071584 0.80 GAA (0.52) MAPTLMNATHRBHDAC4HDAC6

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 4 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
EP-1025086-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GmbH (DE) 2000-08-09 EP disclosed
WO-1999016751-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 1999-04-08 WO disclosed