SCHEMBL16404451

SCHEMBL16404451

CNc1n[nH]c(C)c1C#N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.57
YTHDC1 Q96MU7 2/20 0.39
YTHDF2 Q9Y5A9 1/20 0.39
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
GRM5 P41594 1/20 0.36
GAA P10253 2/20 0.34
GFER P55789 1/20 0.34
KDM4E B2RXH2 3/20 0.33
CHUK O15111 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL15318075 0.75 DHODH (0.35) DHODHGAAKDM4ECHUKMEN1
SCHEMBL4361606 0.73
SCHEMBL600613 0.70
SCHEMBL163701 0.70
SCHEMBL18120677 0.68 DHODH (1.00) DHODHGAAGFERKDM4EALDH1A1
SCHEMBL24610541 0.67 DHODH (0.41) DHODHGRM5GAAKDM4EMAPK1
SCHEMBL24610542 0.67 DHODH (0.47) DHODHJAK2JAK1TYK2JAK3
SCHEMBL13682951 0.65 DHODH (0.44) DHODHJAK2JAK1TYK2JAK3
SCHEMBL13163178 0.65 DHODH (0.49) DHODHGAAKDM4EKMT2APOLB
SCHEMBL27164099 0.65 SLC5A1 (0.38) DHODHTYK2JAK3CHUKMAPK1

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-8936840-B2 Retardation film, polarizing plate, liquid crystal display device, and compound Konica Minolta, Inc. (JP) 2015-01-20 US disclosed