SCHEMBL28614577

SCHEMBL28614577

CCOC(=O)C(C)(N=C(c1ccccc1)c1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 1/20 0.44
MAOB P27338 1/20 0.40
ELANE P08246 1/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KYAT1 Q16773 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ABCB11 O95342 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.39
PMP22 Q01453 1/20 0.39
PPARA Q07869 1/20 0.39
VNN1 O95497 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL17007864 0.78 TBXAS1 (0.41) MAPTKMT2AALDH1A1POLBNPSR1
SCHEMBL27772056 0.75 ABCB11 (0.47) LMNAMAPTKMT2AMAOBL3MBTL1
SCHEMBL17018525 0.75 NPSR1 (0.41) LMNAMAPTKMT2AALDH1A1POLB
SCHEMBL28544709 0.75 LMNA (0.47) LMNAMAPTKMT2AELANETP53
SCHEMBL29136986 0.74 MAPT (0.46) LMNAMAPTKMT2AMAOBL3MBTL1
SCHEMBL29879983 0.74 MAPT (0.46) LMNAMAPTKMT2AMAOBL3MBTL1
SCHEMBL10814021 0.74 SCN5A (0.47) LMNAMAPTKMT2AMAOBL3MBTL1
SCHEMBL1561435 0.72 MAPT (0.46) LMNAMAPTKMT2AMAOBL3MBTL1
SCHEMBL30914092 0.72 MAPT (0.46) LMNAMAPTKMT2AMAOBL3MBTL1
SCHEMBL9136154 0.72 KCNN4 (0.51) MAPTKMT2AELANEL3MBTL1ALDH1A1

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-113164448-A Amino acid anilines as small molecule modulators of IL-17 利奥制药有限公司 2021-07-23 CN disclosed