SCHEMBL7074669

SCHEMBL7074669

N=C(N)c1ccc(CN2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
LSS P48449 2/20 0.55
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.50
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
MAPK1 P28482 1/20 0.49
F2 P00734 1/20 0.48
PRSS1 P07477 1/20 0.48

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
SCHEMBL7986862 0.84 F10 (0.57) TSHRALDH1A1SMN1; SMN2GAAF2
SCHEMBL7074115 0.84 KDM4E (0.59) TSHRLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL7070279 0.84 TDP1 (0.51) TSHRLSSLMNAL3MBTL1ALDH1A1
SCHEMBL7074514 0.83 TP53 (0.53) LSSLMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL7075843 0.83 ALDH1A1 (0.71) TSHRLMNAL3MBTL1ALDH1A1KDM4E
Acetic Acid SCHEMBL28743952 0.82 SMN1; SMN2 (0.49) TSHRLSSLMNAL3MBTL1ALDH1A1
Acetic Acid SCHEMBL27550435 0.82 ALDH1A1 (0.57) LMNAALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL30576797 0.82 GAA (0.60) TSHRLMNAL3MBTL1ALDH1A1KDM4E
Acetic Acid SCHEMBL27530353 0.81 MEN1 (0.53) LSSLMNAALDH1A1KDM4ESMN1; SMN2
Acetic Acid SCHEMBL27525165 0.81 LMNA (0.67) TSHRLMNAL3MBTL1ALDH1A1KDM4E

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