SCHEMBL7071901

SCHEMBL7071901

Cc1nc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)cc2)no1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
THRB P10828 1/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MGLL Q99685 1/20 0.47
GAA P10253 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL7075832 0.91 L3MBTL1 (0.54) LMNASMN1; SMN2HTTNPSR1HDAC4
SCHEMBL7071903 0.91 LMNA (0.47) LMNASMN1; SMN2HTTNPSR1THRB
SCHEMBL7074222 0.90 LMNA (0.62) LMNASMN1; SMN2HTTNPSR1THRB
SCHEMBL7071746 0.88 MEN1 (0.54) LMNASMN1; SMN2HTTNPSR1CYP2D6
SCHEMBL7071582 0.88 LMNA (0.60) LMNASMN1; SMN2HTTNPSR1CYP2D6
SCHEMBL7075122 0.88 LMNA (0.65) LMNASMN1; SMN2HTTNPSR1THRB
SCHEMBL7069983 0.86 LMNA (0.58) LMNASMN1; SMN2HTTNPSR1ALDH1A1
SCHEMBL7132172 0.86 ALDH1A1 (0.54) LMNASMN1; SMN2HTTNPSR1CYP2D6
SCHEMBL7074809 0.86 LMNA (0.53) LMNASMN1; SMN2HTTNPSR1THRB
SCHEMBL7073993 0.85 ALDH1A1 (0.60) LMNASMN1; SMN2HTTNPSR1CYP2D6

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