SCHEMBL7069980

SCHEMBL7069980

Cc1nc(-c2ccc(CN3CCN(S(=O)(=O)c4ccc(-c5ccccc5)cc4)CC3)cc2)no1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 2/20 0.53
LSS P48449 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP2D6 P10635 1/20 0.52
KCNH2 Q12809 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 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
SCHEMBL7074071 0.89 KDM4E (0.56) TSHRLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL7076863 0.89 LSS (0.49) TSHRLMNASMN1; SMN2MAPTLSS
SCHEMBL7074079 0.88 ALDH1A1 (0.63) TSHRLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL7075159 0.88 LSS (0.51) LMNASMN1; SMN2LSSALDH1A1CA12
SCHEMBL7997639 0.86 L3MBTL1 (0.45) TSHRLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL7076926 0.84 LSS (0.52) TSHRLMNASMN1; SMN2MAPTLSS
SCHEMBL7071582 0.81 LMNA (0.60) TSHRLMNASMN1; SMN2ALDH1A1CYP2D6
SCHEMBL7070554 0.81 MAPT (0.52) TSHRLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL7070548 0.80 MGLL (0.56) TSHRLMNASMN1; SMN2MAPTLSS
SCHEMBL7069975 0.80 GAA (0.60) TSHRLMNASMN1; SMN2MAPTALDH1A1

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