SCHEMBL3897941

SCHEMBL3897941

N#Cc1cccc(OCCNC(=O)c2ccc(Cc3ccncc3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.51
POLB P06746 2/20 0.50
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.48
ROCK2 O75116 4/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
ROCK1 Q13464 2/20 0.48
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.47
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL3904589 0.88 F10 (0.51) F10POLBRAB9ANPC1SMN1; SMN2
SCHEMBL3897181 0.85 F10 (0.60) F10POLBRAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL3898352 0.85 F10 (0.58) F10POLBRAB9ANPC1SMN1; SMN2
SCHEMBL3901290 0.85 POLB (0.59) F10POLBRAB9ANPC1SMN1; SMN2
SCHEMBL3901407 0.83 NPC1 (0.60) F10POLBRAB9ANPC1SMN1; SMN2
SCHEMBL14132012 0.83 F10 (0.76) F10POLBRAB9ANPC1SMN1; SMN2
SCHEMBL3898858 0.83 NPC1 (0.62) F10POLBRAB9ANPC1SMN1; SMN2
SCHEMBL3901294 0.82 F10 (0.60) F10POLBRAB9ANPC1SMN1; SMN2
SCHEMBL3910408 0.82 F10 (0.63) F10POLBRAB9ANPC1SMN1; SMN2
SCHEMBL3902858 0.82 RAB9A (0.58) F10POLBRAB9ANPC1SMN1; SMN2

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