SCHEMBL7075832

SCHEMBL7075832

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

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
HDAC4 P56524 5/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
STAT3 P40763 4/20 0.53
CNR1 P21554 1/20 0.52
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 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
SCHEMBL7071901 0.91 LMNA (0.50) HDAC4HDAC6HDAC2HDAC8LMNA
SCHEMBL7074222 0.89 LMNA (0.62) L3MBTL1LMNAHTTSMN1; SMN2NPSR1
SCHEMBL7071903 0.88 LMNA (0.47) HDAC4HDAC6HDAC2HDAC8LMNA
SCHEMBL7071582 0.87 LMNA (0.60) LMNAHTTSMN1; SMN2NPSR1
SCHEMBL7071746 0.87 MEN1 (0.54) L3MBTL1LMNAHTTSMN1; SMN2NPSR1
SCHEMBL7075122 0.87 LMNA (0.65) HDAC4LMNAHTTSMN1; SMN2NPSR1
SCHEMBL7132172 0.85 ALDH1A1 (0.54) LMNAHTTSMN1; SMN2NPSR1
SCHEMBL7074809 0.85 LMNA (0.53) L3MBTL1LMNAHTTSMN1; SMN2NPSR1
SCHEMBL7069983 0.85 LMNA (0.58) L3MBTL1LMNAHTTSMN1; SMN2NPSR1
SCHEMBL7073993 0.84 ALDH1A1 (0.60) LMNAHTTSMN1; SMN2NPSR1

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