SCHEMBL28360511

SCHEMBL28360511

CCOC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
ALDH1A1 P00352 8/20 0.58
POLB P06746 2/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
USP2 O75604 1/20 0.58
THRB P10828 1/20 0.58
S100A4 P26447 1/20 0.58
HTT P42858 1/20 0.58
RECQL P46063 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 3/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
MAPK1 P28482 2/20 0.51
CYP2C19 P33261 2/20 0.51
HSD17B10 Q99714 2/20 0.51

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
SCHEMBL16880599 1.00 MAPT (0.58) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL16398981 0.88 MAPT (0.69) MAPTALDH1A1POLBKMT2AHTT
SCHEMBL21848210 0.84 MAPT (0.74) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL21848251 0.83 MAPT (0.63) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL22149667 0.82 ALDH1A1 (0.54) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL16880167 0.82 ALDH1A1 (0.54) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL29891157 0.82 ALDH1A1 (0.54) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL16880245 0.82 MAPT (0.61) MAPTALDH1A1POLBSMN1; SMN2RAB9A
SCHEMBL30608491 0.80 ALDH1A1 (0.55) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL14511129 0.78 MAPT (0.53) MAPTALDH1A1POLBSMN1; SMN2RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110678461-B Syk inhibitors and methods of use thereof 正大天晴药业集团股份有限公司 2021-08-10 CN disclosed
CN-110678461-A Syk inhibitors and methods of use thereof 正大天晴药业集团股份有限公司 2020-01-10 CN disclosed