SCHEMBL28563266

SCHEMBL28563266

C[C](C)Cc1ccc(Cl)nn1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
ACACB O00763 1/20 0.31
SLC5A2 P31639 1/20 0.31
CYP1A2 P05177 1/20 0.31
PANK3 Q9H999 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
SCHEMBL3182612 0.76 ALDH1A1 (0.48) ALDH1A1MAPTGAALMNAPOLB
SCHEMBL1809868 0.75 ALDH1A1 (0.41) ALDH1A1LMNAKMT2APOLBACACB
SCHEMBL31292392 0.75 ALDH1A1 (0.46) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL1809869 0.75 ALDH1A1 (0.41) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL16792304 0.75 ALDH1A1 (0.41) ALDH1A1SLC5A2PANK3
SCHEMBL1126767 0.75
SCHEMBL2600117 0.75
Lithium Ion SCHEMBL22265863 0.74 ALDH1A1 (0.43) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL29446795 0.72 MAPT (0.45) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL6666780 0.72 MAPT (0.45) ALDH1A1MAPTGAALMNAKMT2A

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-107266419-B Certain amino-pyridazines, compositions thereof, and methods of use thereof 赛特凯恩蒂克公司 2021-05-11 CN disclosed