SCHEMBL3899288

SCHEMBL3899288

COC(=O)c1ccc(C(=O)NCCOc2cccc(C#N)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
RAB9A P51151 5/20 0.56
NPC1 O15118 5/20 0.56
RECQL P46063 1/20 0.56
F10 P00742 2/20 0.56
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPT P10636 3/20 0.51
KMT2A Q03164 2/20 0.50
BRD4 O60885 1/20 0.50
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL3897181 0.90 F10 (0.60) POLBRAB9ANPC1RECQLF10
SCHEMBL3901290 0.89 POLB (0.59) POLBRAB9ANPC1RECQLF10
SCHEMBL3901407 0.88 NPC1 (0.60) POLBRAB9ANPC1RECQLF10
SCHEMBL3898858 0.88 NPC1 (0.62) POLBRAB9ANPC1RECQLF10
SCHEMBL3901294 0.87 F10 (0.60) POLBRAB9ANPC1RECQLF10
SCHEMBL3910408 0.87 F10 (0.63) POLBRAB9ANPC1RECQLF10
SCHEMBL3902858 0.87 RAB9A (0.58) POLBRAB9ANPC1RECQLF10
SCHEMBL3911536 0.86 POLB (0.56) POLBRAB9ANPC1RECQLF10
SCHEMBL3906076 0.86 POLB (0.56) POLBRAB9ANPC1RECQLF10
Hydrochloric Acid SCHEMBL3898352 0.85 F10 (0.58) POLBRAB9ANPC1RECQLF10

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