SCHEMBL7071822

SCHEMBL7071822

N=C(N)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
CNR1 P21554 1/20 0.60
MAPT P10636 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
GAA P10253 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPK1 P28482 1/20 0.51
LMNA P02545 1/20 0.51
TRPV4 Q9HBA0 2/20 0.50
ALDH1A1 P00352 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 SCHEMBL27550450 0.96 F10 (0.57) F10L3MBTL1CNR1MAPTMEN1
SCHEMBL7073997 0.88 F10 (0.61) F10L3MBTL1MAPTMEN1KMT2A
Acetic Acid SCHEMBL27552343 0.85 F10 (0.58) F10L3MBTL1MAPTMEN1KMT2A
SCHEMBL7074494 0.85 F10 (0.66) F10L3MBTL1MAPTMEN1KMT2A
SCHEMBL1945511 0.85 L3MBTL1 (0.81) L3MBTL1CNR1MAPTMEN1KMT2A
SCHEMBL7073647 0.84 F10 (0.57) F10L3MBTL1MAPTMEN1KMT2A
SCHEMBL7077553 0.84 F10 (0.65) F10L3MBTL1CNR1MAPTMEN1
SCHEMBL7076666 0.84 LMNA (0.72) F10L3MBTL1MAPTMEN1KMT2A
SCHEMBL7074220 0.84 LMNA (0.71) F10L3MBTL1MAPTMEN1KMT2A
SCHEMBL7071445 0.82 F10 (0.62) F10L3MBTL1MAPTMEN1KMT2A

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