SCHEMBL3900523

SCHEMBL3900523

N#Cc1ccc(NC(=O)CCCOc2cccc(C#N)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
GAA P10253 2/20 0.57
LMNA P02545 1/20 0.57
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56
MAPT P10636 5/20 0.55
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPK1 P28482 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.54
POLB P06746 1/20 0.53
BRD4 O60885 1/20 0.53
CYP3A4 P08684 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP1A2 P05177 2/20 0.51

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
SCHEMBL3898629 0.94 CYP1A2 (0.59) CNR1CNR2MAPTALDH1A1MEN1
SCHEMBL321393 0.83 SMN1; SMN2 (0.61) CNR1CNR2MAPTALDH1A1MEN1
SCHEMBL320475 0.81 MAPT (0.67) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL3894625 0.81 ALDH1A1 (0.50) L3MBTL1MAPTALDH1A1RAB9A
SCHEMBL3898501 0.80 FFAR1 (0.54) SMN1; SMN2
SCHEMBL3084650 0.79 RORC (0.59) L3MBTL1GAALMNAMAPTALDH1A1
SCHEMBL18328530 0.79 CNR1 (0.50) L3MBTL1GAALMNACNR1CNR2
SCHEMBL4841724 0.79 SMN1; SMN2 (0.46) GAAMAPTSMN1; SMN2BRD4
SCHEMBL21533497 0.78
SCHEMBL7047538 0.78 MMP3 (0.60)

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