SCHEMBL29601849

SCHEMBL29601849

CCCCN(CCCC)Cc1ccccc1C

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
BCHE P06276 5/20 0.51
ACHE P22303 2/20 0.51
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EGFR P00533 1/20 0.43
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
BLM P54132 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL11092752 0.89 BCHE (0.56) MAPTBCHEACHEKMT2AMEN1
SCHEMBL9448674 0.89 BCHE (0.56) MAPTBCHEACHEKMT2AMEN1
SCHEMBL11797948 0.88 MAPT (0.52) MAPTBCHEACHEKMT2AMEN1
Hydrochloric Acid SCHEMBL23581318 0.87 MAPT (0.57) MAPTBCHEACHEKMT2AMEN1
Hydrochloric Acid SCHEMBL21494473 0.87 MAPT (0.57) MAPTBCHEACHEKMT2AMEN1
SCHEMBL13975072 0.83 CHRM2 (0.47) MAPTBCHEACHEKMT2AMEN1
SCHEMBL7132160 0.82 KCNH2 (0.51) MAPTBCHEACHEKMT2AMEN1
SCHEMBL2247284 0.82 EGFR (0.58) MAPTBCHEACHEEGFR
SCHEMBL7128102 0.82 KCNH2 (0.50) MAPTBCHEACHEKMT2AMEN1
Hydrochloric Acid SCHEMBL11582673 0.81 HTR1A (0.50) MAPTBCHEACHEKMT2AMEN1

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-114606042-A Anti-rust oil and preparation method and application thereof 中国科学院兰州化学物理研究所 2022-06-10 CN disclosed