SCHEMBL28575267

SCHEMBL28575267

CCOC(=O)N(CCCCl)c1ccc([N+](=O)[O-])cc1OC(=O)CO

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 4/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
CYP19A1 P11511 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL28560557 0.81 TP53 (0.55) MAPTKDM4EALDH1A1CRHBPCRHR2
SCHEMBL7302756 0.77 SMN1; SMN2 (0.43) MAPTKDM4ELMNAALDH1A1TP53
SCHEMBL7302767 0.75 SMN1; SMN2 (0.45) MAPTKDM4ELMNAALDH1A1TP53
SCHEMBL11316497 0.69 MAPT (0.48) MAPTKDM4ELMNAALDH1A1L3MBTL1
SCHEMBL13215131 0.64 POLB (0.52) MAPTKDM4ELMNAALDH1A1KMT2A
SCHEMBL8370314 0.64 NPC1 (0.55) MAPTALDH1A1TP53HTTKMT2A
SCHEMBL28216207 0.64 ACHE (0.56) MAPTALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL27905951 0.63 L3MBTL1 (0.43) MAPTKDM4EALDH1A1L3MBTL1TP53
SCHEMBL13244175 0.63 MAPT (0.53) MAPTKDM4ELMNAALDH1A1CRHBP
SCHEMBL20424921 0.63 ALDH1A1 (0.51) MAPTLMNAALDH1A1L3MBTL1HTT

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-106349233-B 3, 4-diphenyl-4H-1, 2, 4-triazole derivative and preparation method and application thereof 上海翰森生物医药科技有限公司 2021-06-01 CN disclosed