SCHEMBL8648196

SCHEMBL8648196

N=C(N)NC(=O)/C(=C/c1ccccc1N)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.46
HDAC3 O15379 3/20 0.46
HDAC2 Q92769 3/20 0.46
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
SARM1 Q6SZW1 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
SIRT4 Q9Y6E7 1/20 0.43
HDAC6 Q9UBN7 2/20 0.40
EPHA2 P29317 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL8649037 0.88 ATM (0.42) HDAC1F7F3SARM1SIRT2
SCHEMBL8644182 0.88 F7 (0.41) HDAC1HDAC3HDAC2F7F3
SCHEMBL8643120 0.88 MAPT (0.51) F7F3SARM1SIRT2SIRT6
SCHEMBL8649382 0.88 F7 (0.39) HDAC1HDAC3HDAC2F7F3
SCHEMBL8644572 0.85 CYP1A1 (0.54) ALDH1A1MAPTLMNAKMT2AGAA
SCHEMBL8645267 0.85 CYP1A1 (0.47) F7F3SARM1SIRT2SIRT6
SCHEMBL8650926 0.84 ATM (0.39) F7F3SARM1SIRT2SIRT6
SCHEMBL8647081 0.84 MAPT (0.48) ALDH1A1MAPTLMNAKMT2AGAA
SCHEMBL8650946 0.84 F7 (0.38) F7F3SARM1SIRT2SIRT6
SCHEMBL8646364 0.84 MAPT (0.44) F7F3SARM1SIRT2SIRT6

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