SCHEMBL9550385

SCHEMBL9550385

N#Cn1c(=O)c2ccccc2c2ccccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
BCAT1 P54687 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 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
SCHEMBL9550360 0.77 ALDH1A1 (0.32) ALDH1A1KDM4E
SCHEMBL9943604 0.73 KDM4E (0.46) MAPK1BCAT1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL3890065 0.70 GPR3 (0.46) TDP1L3MBTL1TSHRSMN1; SMN2MAPT
SCHEMBL29940205 0.70 GPR3 (0.46) TDP1L3MBTL1TSHRSMN1; SMN2MAPT
SCHEMBL32665750 0.70 GPR3 (0.46) TDP1L3MBTL1TSHRSMN1; SMN2MAPT
SCHEMBL12660971 0.68
SCHEMBL862547 0.67 TDP1 (0.54) MAPK1TDP1L3MBTL1TSHRSMN1; SMN2
Triphenylene SCHEMBL28444832 0.66 HPRT1 (0.53) MAPK1TDP1TSHRSMN1; SMN2HSD17B10
SCHEMBL4867761 0.64 MAPK1 (0.48) MAPK1TDP1L3MBTL1TSHRSMN1; SMN2
SCHEMBL12427093 0.64 KDM4E (0.54) MAPK1TDP1L3MBTL1TSHRSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5216173-A Curing agents for epoxy resins; polyimides HENKEL RESEARCH CORPORATION (US) 1993-06-01 US disclosed
EP-0484381-A1 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1992-05-13 EP disclosed
WO-1991001307-A2 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1991-02-07 WO disclosed