SCHEMBL10336751

SCHEMBL10336751

C(=Cc1cccc(Nc2ncccn2)c1Nc1ncccn1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.47
PLG P00747 1/20 0.43
KLK1 P06870 1/20 0.43
SNCA P37840 5/20 0.39
NFE2L2 Q16236 3/20 0.39
TRPA1 O75762 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALK Q9UM73 1/20 0.38
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TLR4 O00206 1/20 0.36
TLR2 O60603 1/20 0.36

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
SCHEMBL8436316 0.88 PLAU (0.40) PLAUPLGKLK1SNCANFE2L2
SCHEMBL7778456 0.82 DDX3X (0.46) KDM4EKMT2A
SCHEMBL8751238 0.75 PLAU (0.46) PLAUPLGKLK1SNCANFE2L2
SCHEMBL8340070 0.75 PLAU (0.46) PLAUPLGKLK1SNCANFE2L2
SCHEMBL472841 0.73 NFE2L2 (0.34) SNCANFE2L2TRPA1ALKKMT2A
SCHEMBL5141674 0.72 NPC1 (0.47) NFE2L2TRPA1NPC1RAB9A
SCHEMBL2492770 0.70 NFE2L2 (0.54) SNCANFE2L2TRPA1
SCHEMBL3265738 0.70 MEN1 (0.58) PLAUPLGKLK1KDM4EKMT2A
SCHEMBL3276737 0.69 NFE2L2 (0.44) SNCANFE2L2TRPA1KDM4E
SCHEMBL4160819 0.68 NFE2L2 (0.47) NFE2L2TRPA1KDM4EALKKMT2A

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-4917997-A MIXED WITH ASCORBIC ACID COMPONENT, SENSITIZING DYE, BISAMINOSTILBENE WITH PYRIMIDINE SUBSTITUTION FUJI PHOTO FILM CO., LTD. (JP) 1990-04-17 US disclosed