SCHEMBL28472884

SCHEMBL28472884

COC(=O)c1ccc2c(CCN)nn(C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ GAA P10253 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ GLA P06280 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ LOXL2 Q9Y4K0 2/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MAPK8 P45983 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL28468125 0.91 LOXL2 (0.46) TLR8ALDH1A1KDM4EGAAMAPT
SCHEMBL7658563 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL27272748 0.85 SLC22A12 (0.44) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL7656202 0.85 KDM4E (0.38) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL8682731 0.83 KDM4E (0.39) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL7658111 0.81 KDM4E (0.37) TLR8ALDH1A1KDM4EGAAMAPT
SCHEMBL23559702 0.80 KDM4E (0.50) TLR8ALDH1A1KDM4EGAAMAPT
SCHEMBL7655673 0.79 LMNA (0.47) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL7651382 0.79 BACE1 (0.42) TLR8ALDH1A1KDM4EGAAMAPT
SCHEMBL7651372 0.79 ALDH1A1 (0.37) TLR8ALDH1A1KDM4EGAAMAPT

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
CN-111825595-A Sodium channel blockers 山东轩竹医药科技有限公司 2020-10-27 — — CN disclosed
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