SCHEMBL3968898

SCHEMBL3968898

N#Cc1cccc(OCCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.63
PKM P14618 6/20 0.58
GAA P10253 2/20 0.57
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
EPHX2 P34913 1/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 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
SCHEMBL14132165 0.84 F10 (0.65) HPGDPKMGAAKMT2AMEN1
SCHEMBL3971725 0.83 CHRM4 (0.65) PKMSMN1; SMN2NPC1EPHX2RAB9A
SCHEMBL3964336 0.83 NPC1 (0.54) PKMKMT2ASMN1; SMN2NPC1EPHX2
SCHEMBL3963855 0.81 SMN1; SMN2 (0.57) PKMKMT2AMEN1SMN1; SMN2NPC1
Trifluoroacetic Acid SCHEMBL3970578 0.81 F10 (0.61) HPGDPKMGAAKMT2AMEN1
SCHEMBL3964755 0.79 NPSR1 (0.53) PKMKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL3974111 0.79 EPHX2 (0.49) PKMSMN1; SMN2NPC1EPHX2RAB9A
SCHEMBL3971956 0.79 F10 (0.73)
SCHEMBL3902517 0.74 TGM2 (0.46) GAASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4525391 0.74 ALDH1A1 (0.64) GAAKMT2AMEN1SMN1; SMN2EPHX2

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-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed