SCHEMBL29255201

SCHEMBL29255201

COC(=O)Cc1nn(-c2ccc(O)c(F)c2)nc1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.39
LMNA P02545 2/20 0.39
MIF P14174 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
EGFR P00533 1/20 0.35
TLR7 Q9NYK1 2/20 0.35
KDM4E B2RXH2 2/20 0.34
TP53 P04637 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HSP90AB1 P08238 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL29254867 0.80 LMNA (0.46) PKMLMNAALDH1A1HPGDCYP3A4
SCHEMBL13899486 0.78 LMNA (0.55) PKMLMNAALDH1A1GAAKDM4E
SCHEMBL14188814 0.78 MAPT (0.48) PKMLMNAALDH1A1KDM4ETP53
SCHEMBL29255289 0.77 LTA4H (0.37) PKMLMNA
SCHEMBL30154442 0.70 GAA (0.66) PKMLMNAMIFALDH1A1GAA
SCHEMBL926809 0.70 GAA (0.66) PKMLMNAMIFALDH1A1GAA
SCHEMBL14683453 0.69 HSP90AB1 (0.41) ALDH1A1GAAGFERTLR7KDM4E
SCHEMBL29255171 0.68 MIF (0.46) LMNAMIFALDH1A1GAAGFER
SCHEMBL5327176 0.68 LMNA (0.47) PKMLMNAALDH1A1KDM4ETP53
SCHEMBL14188812 0.67 MAPT (0.45) LMNAKDM4EHPGDCYP3A4TSHR

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-118307534-A LTA4H inhibitors and uses thereof 上海海雁医药科技有限公司 2024-07-09 CN disclosed