SCHEMBL28632584

SCHEMBL28632584

CCCCNc1ccc([N+](=O)[O-])cc1C#CC(C)(C)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
MAPT P10636 5/20 0.45
KDM4E B2RXH2 1/20 0.45
HCAR3 P49019 2/20 0.44
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 3/20 0.41
MGLL Q99685 1/20 0.41
RIPK1 Q13546 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
TRPA1 O75762 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CDK2 P24941 1/20 0.40
THPO P40225 1/20 0.40

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
SCHEMBL1465863 0.85 MAPT (0.48) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL1465548 0.79 ALDH1A1 (0.45) RECQLMAPTALDH1A1POLBKMT2A
SCHEMBL5031380 0.77 RIPK1 (0.50) RECQLMAPTKDM4EHCAR3ALDH1A1
SCHEMBL9373869 0.73 RECQL (0.66) RECQLMAPTKDM4EHCAR3ALDH1A1
SCHEMBL27510433 0.72 HTT (0.57) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL6771507 0.72 MAPT (0.46) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL9507998 0.72 MAPT (0.54) MAPTKDM4EHCAR3ALDH1A1LMNA
SCHEMBL13365210 0.71 MAPT (0.48) RECQLMAPTKDM4EALDH1A1LMNA
SCHEMBL14294847 0.70 MAPT (0.69) MAPTKDM4EHCAR3ALDH1A1LMNA
SCHEMBL8762394 0.69 ALDH1A1 (0.76) MAPTKDM4EHCAR3ALDH1A1LMNA

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-105693701-B Modulators of ATP-binding cassette transporters 弗特克斯药品有限公司 2021-08-10 CN disclosed