SCHEMBL7074005

SCHEMBL7074005

N=C(N)c1ccc(NC(=O)ON2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 1/20 0.52
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 4/20 0.46
HTT P42858 2/20 0.46
RECQL P46063 2/20 0.46
ALOX15 P16050 1/20 0.46
GAA P10253 2/20 0.45
TRPV4 Q9HBA0 1/20 0.45
TGM2 P21980 1/20 0.45
PSMD14 O00487 1/20 0.44
POLB P06746 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44

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
SCHEMBL7074173 0.88 MEN1 (0.53) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL7074257 0.87 F10 (0.53) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL7649509 0.84 GAA (0.61) GPR55KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL7076585 0.83 TSHR (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL7072206 0.81 F10 (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL7075379 0.79 POLB (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL7071445 0.78 F10 (0.62) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL7074841 0.78 KMT2A (0.45) KMT2AMEN1ALDH1A1TSHRLMNA
SCHEMBL7071711 0.76 F10 (0.48) KMT2AMEN1ALDH1A1PLAU
SCHEMBL7074669 0.74 TSHR (0.56) ALDH1A1SMN1; SMN2TSHRLMNAKDM4E

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 3 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
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