SCHEMBL16601906

SCHEMBL16601906

Cc1nnc(/N=N/C2=C(O)c3ccccc3C2=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.39
TDP2 O95551 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 8/20 0.37
SMN1; SMN2 Q16637 6/20 0.37
MAPT P10636 5/20 0.37
ALDH1A1 P00352 4/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 2/20 0.37
CDC25A P30304 2/20 0.37
CDC25B P30305 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAP2K7 O14733 1/20 0.37
GMNN O75496 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL12034181 0.70 TDP2 (0.41) APAF1TDP2TSHRMAPK1POLB
SCHEMBL12795337 0.70 MAPK1 (0.36) APAF1TDP2TSHRMAPK1POLB
SCHEMBL12034289 0.69 ALDH1A1 (0.37) APAF1TDP2TSHRMAPK1POLB
SCHEMBL12034185 0.69 ALDH1A1 (0.39) APAF1TDP2TSHRMAPK1POLB
SCHEMBL12033916 0.68 ALDH1A1 (0.39) APAF1TDP2TSHRMAPK1POLB
SCHEMBL14435592 0.66 MAPT (0.63) MAPK1POLBMEN1KMT2ARAB9A
SCHEMBL17029699 0.65 ALDH1A1 (0.36) APAF1TDP2TSHRMAPK1POLB
SCHEMBL12795355 0.65 TSHR (0.39) APAF1TDP2TSHRMAPK1POLB
SCHEMBL10216429 0.64 APAF1 (0.61) APAF1TDP2TSHRMAPK1POLB
SCHEMBL29929043 0.62 APAF1 (0.58) APAF1TDP2TSHRMAPK1POLB

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
US-8993086-B2 Recordable optical recording medium TAIYO YUDEN CO., LTD. (JP) 2015-03-31 US disclosed