SCHEMBL7649409

SCHEMBL7649409

N=C(N)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.60
MAPT P10636 6/20 0.58
KMT2A Q03164 5/20 0.58
GAA P10253 4/20 0.58
LMNA P02545 4/20 0.58
MEN1 O00255 3/20 0.58
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HTT P42858 2/20 0.58
ALOX12 P18054 1/20 0.58
PLG P00747 2/20 0.55
PKM P14618 6/20 0.55
ATM Q13315 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL7651047 0.90 F10 (0.58) F10MAPTKMT2AGAALMNA
SCHEMBL1660858 0.88 MAPT (0.61) MAPTKMT2AGAALMNAMEN1
SCHEMBL1662623 0.86 HDAC3 (0.60) MAPTKMT2AGAALMNAMEN1
SCHEMBL5735860 0.86 F10 (0.80) F10KMT2AGAALMNAMEN1
SCHEMBL7074257 0.86 F10 (0.53) F10MAPTKMT2AGAALMNA
SCHEMBL7649509 0.85 GAA (0.61) MAPTKMT2AGAALMNAMEN1
SCHEMBL7649390 0.83 KMT2A (0.56) MAPTKMT2AGAALMNAMEN1
Acetic Acid SCHEMBL28744428 0.82 F10 (0.74) F10KMT2AGAALMNAMEN1
SCHEMBL10224655 0.82 P2RY12 (0.59) MAPTKMT2AGAALMNAMEN1
SCHEMBL7074428 0.81 PKM (0.62) F10KMT2AGAALMNAMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492368-B1 Benzamidine derivatives as factor XA inhibitors MERCK PATENT GMBH (DE) 2002-12-10 US disclosed