SCHEMBL7074161

SCHEMBL7074161

N=C(N)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
MEN1 O00255 3/20 0.58
CNR1 P21554 1/20 0.58
NPBWR1 P48145 1/20 0.57
MCHR1 Q99705 1/20 0.57
MAPT P10636 1/20 0.56
F10 P00742 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 2/20 0.55
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.51
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
Acetic Acid SCHEMBL27525143 0.96 KMT2A (0.57) KMT2AMEN1CNR1NPBWR1MCHR1
SCHEMBL7076843 0.87 MEN1 (0.79) KMT2AMEN1MAPTF10CYP3A4
SCHEMBL7077553 0.84 F10 (0.65) KMT2AMEN1CNR1MAPTF10
SCHEMBL6737341 0.83 F10 (0.77) F10
SCHEMBL7072134 0.82 F10 (0.63) KMT2AMEN1F10ALDH1A1L3MBTL1
Acetic Acid SCHEMBL27550442 0.82 MEN1 (0.63) KMT2AMEN1MAPTF10CYP3A4
SCHEMBL7074438 0.82 F10 (0.69) KMT2AMEN1MAPTF10L3MBTL1
Hydrochloric Acid SCHEMBL5733561 0.82 F10 (0.75) F10
SCHEMBL7071636 0.81 F10 (0.53) KMT2AMEN1NPBWR1MCHR1F10
SCHEMBL7074302 0.81 F10 (0.53) KMT2AMEN1NPBWR1MCHR1MAPT

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