SCHEMBL28358592

SCHEMBL28358592

CC(=C(C#N)C#N)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
USP2 O75604 1/20 0.37
PKM P14618 1/20 0.37
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA9 Q16790 3/20 0.37
CA2 P00918 2/20 0.37
FAAH O00519 1/20 0.35
PHGDH O43175 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALDH2 P05091 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
MGLL Q99685 1/20 0.35
CTSS P25774 3/20 0.35
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.34

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
SCHEMBL11438277 0.74 LMNA (0.41) SMN1; SMN2USP2CA12CA1CA9
SCHEMBL18860290 0.74 SMN1; SMN2 (0.54) SMN1; SMN2USP2PKMCA12CA1
SCHEMBL6187561 0.74 ALDH1A1 (0.36) SMN1; SMN2USP2CA12CA1CA9
SCHEMBL11538345 0.74 TSHR (0.54) SMN1; SMN2USP2PKMCA12CA1
SCHEMBL11538340 0.74 TSHR (0.54) SMN1; SMN2USP2PKMCA12CA1
SCHEMBL5888704 0.70 SMN1; SMN2 (0.45) SMN1; SMN2PKMALDH1A1CTSSMEN1
SCHEMBL18288348 0.70 SMN1; SMN2 (0.50) SMN1; SMN2USP2PKMCA12CA1
SCHEMBL11026574 0.70 SMN1; SMN2 (0.50) SMN1; SMN2USP2PKMCA12CA1
SCHEMBL24157363 0.70 MGLL (0.37) SMN1; SMN2USP2FAAHPHGDHALDH1A1
SCHEMBL9854837 0.68 CA12 (0.39) SMN1; SMN2CA12CA1CA9CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110797576-B High-voltage lithium ion battery electrolyte and lithium ion battery 广州天赐高新材料股份有限公司 2020-11-27 CN disclosed
CN-110797576-A High-voltage lithium ion battery electrolyte and lithium ion battery 广州天赐高新材料股份有限公司 2020-02-14 CN disclosed