SCHEMBL13977929

SCHEMBL13977929

C=N/C(=N\N=C(/N)c1cccnc1)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
SARM1 Q6SZW1 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT6 Q8N6T7 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
SIRT4 Q9Y6E7 1/20 0.47
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL13977937 0.76 NPC1 (0.39) KDM4EPOLBKMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL28676955 0.75 F7 (0.57) F7F3SARM1SIRT2SIRT6
SCHEMBL13978226 0.75 KMT2A (0.45) F7F3POLBKMT2AMEN1
SCHEMBL312479 0.73 F7 (0.59) F7F3SARM1SIRT2SIRT6
SCHEMBL29692126 0.73 F7 (0.59) F7F3SARM1SIRT2SIRT6
SCHEMBL27764447 0.73 F7 (0.59) F7F3SARM1SIRT2SIRT6
SCHEMBL283480 0.73 F7 (0.59) F7F3SARM1SIRT2SIRT6
SCHEMBL834568 0.73 F7 (0.59) F7F3SARM1SIRT2SIRT6
SCHEMBL283482 0.73 F7 (0.59) F7F3SARM1SIRT2SIRT6
SCHEMBL24170739 0.72 F7 (0.57) 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
WO-2012156920-A1 BIO-ORTHOGONAL DRUG ACTIVATION KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2012-11-22 WO disclosed