SCHEMBL8644182

SCHEMBL8644182

N=C(N)NC(=O)/C(=C/c1ccccc1F)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SARM1 Q6SZW1 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
SIRT4 Q9Y6E7 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ATM Q13315 1/20 0.38
PLOD2 O00469 1/20 0.38

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
SCHEMBL8648666 0.95 ALDH1A1 (0.38) F7F3SARM1SIRT2SIRT6
SCHEMBL8648196 0.88 HDAC1 (0.46) F7F3SARM1SIRT2SIRT6
SCHEMBL8649037 0.86 ATM (0.42) F7F3SARM1SIRT2SIRT6
SCHEMBL8643120 0.86 MAPT (0.51) F7F3SARM1SIRT2SIRT6
SCHEMBL8649382 0.83 F7 (0.39) F7F3SARM1SIRT2SIRT6
SCHEMBL8644572 0.83 CYP1A1 (0.54) ALDH1A1POLBNPC1RAB9AMAPT
SCHEMBL8645267 0.83 CYP1A1 (0.47) F7F3SARM1SIRT2SIRT6
SCHEMBL8648668 0.82 ALDH1A1 (0.35) ALDH1A1TDP1HDAC1HDAC3HDAC2
SCHEMBL8644380 0.82 MAPT (0.45) F7F3SARM1SIRT2SIRT6
SCHEMBL8647081 0.82 MAPT (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT

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
EP-0861831-A1 HETEROARYL-SUBSTITUTED ACRYLOYLGUANIDINE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1998-09-02 EP disclosed