SCHEMBL28246789

SCHEMBL28246789

Cc1cc([N+](=O)[O-])ccc1NC1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 1.00
ALDH1A1 P00352 4/20 1.00
LMNA P02545 2/20 1.00
CRHBP P24387 2/20 1.00
CRHR2 Q13324 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
POLB P06746 3/20 0.58
GAA P10253 1/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 5/20 0.55
HCAR3 P49019 2/20 0.51
MEN1 O00255 4/20 0.50
TSHR P16473 2/20 0.50
RIPK1 Q13546 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP19A1 P11511 2/20 0.49
CYP1A2 P05177 2/20 0.49

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
SCHEMBL7711914 0.94 MAPT (0.88) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL31203024 0.87 MAPT (0.77) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL1813611 0.86 MAPT (0.75) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL31203067 0.86 MAPT (0.75) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL31203108 0.82 ALDH1A1 (0.69) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL32685902 0.82 ALDH1A1 (0.69) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL23786250 0.82 MAPT (0.69) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL8607686 0.82 MAPT (0.69) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL7182913 0.82 MAPT (0.69) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL9396486 0.81 MAPT (0.68) MAPTALDH1A1LMNACRHBPCRHR2

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-108690043-B Quinoline derivatives and its preparation method and application 东莞东阳光科研发有限公司 2019-10-18 CN disclosed
CN-108690043-A Quinoline derivatives and its preparation method and application 东莞东阳光科研发有限公司 2018-10-23 CN disclosed