SCHEMBL7074841

SCHEMBL7074841

Cc1cc(C)c(S(=O)(=O)N2CCN(OC(=O)Nc3ccc(C(=N)N)cc3)CC2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PLAU P00749 1/20 0.43
HPN P05981 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 1/20 0.41
EPHX2 P34913 2/20 0.41
GAA P10253 1/20 0.41
CNR1 P21554 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL7654095 0.84 GAA (0.53) KMT2AMEN1MAPK1POLBNPSR1
SCHEMBL7074173 0.79 MEN1 (0.53) KMT2AMEN1POLBPLAUHPN
SCHEMBL7075110 0.79 LMNA (0.49) KMT2AMEN1MAPK1POLBMAPT
SCHEMBL7074257 0.79 F10 (0.53) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL7071435 0.78 KMT2A (0.64) KMT2AMEN1MAPK1POLBNPSR1
SCHEMBL7074005 0.78 GPR55 (0.52) KMT2AMEN1POLBPLAUHPN
SCHEMBL7076585 0.77 TSHR (0.47) KMT2AMEN1MAPK1PLAUHPN
SCHEMBL7072206 0.77 F10 (0.52) KMT2AMEN1POLBPLAUALDH1A1
SCHEMBL7073684 0.77 F2 (0.55) KMT2AMEN1MAPK1POLBNPSR1
SCHEMBL7651893 0.74 KMT2A (0.53) KMT2AMEN1MAPK1POLBNPSR1

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