SCHEMBL26180619

SCHEMBL26180619

CCCC(C)(C)c1ccc2[nH]c(C(C)(CC)CC)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 3/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL26180615 0.90 SCN10A (0.40) SCN10AKCNH2KDM4EPOLBMAPT
SCHEMBL21206149 0.81 SCN10A (0.42) SCN10AKCNH2KDM4EPOLBMAPT
SCHEMBL13896660 0.80 SCN10A (0.44) SCN10AKCNH2KDM4EPOLBMAPT
SCHEMBL15311026 0.77 SCN10A (0.56) SCN10AKCNH2KDM4EPOLBMAPT
SCHEMBL12402382 0.77 SCN10A (0.51) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL20283848 0.72 NPSR1 (0.58) KDM4EPOLBNPSR1ALDH1A1SMN1; SMN2
SCHEMBL3266151 0.72 MAPT (0.45) SCN10AKCNH2KDM4EPOLBMAPT
SCHEMBL10235429 0.72 MAPT (0.45) SCN10AKCNH2KDM4EPOLBMAPT
SCHEMBL13543998 0.71 ALDH1A1 (0.59) KDM4EPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL22292145 0.71 MAPT (0.36) CNR1CNR2KDM4EMAPTALDH1A1

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
EP-3518336-B1 CASING MATERIAL FOR SECONDARY BATTERY HAVING IMPROVED SAFETY AND SECONDAR BATTERY INCULDING THE SAME LG ENERGY SOLUTION LTD (KR) 2023-06-14 — — EP disclosed
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