SCHEMBL27144629

SCHEMBL27144629

CC(NP(=O)(Oc1ccc([N+](=O)[O-])cc1)Oc1cccc(F)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ FFAR1 O14842 1/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ GPR17 Q13304 2/20 0.40
▸ P2RY2 P41231 1/20 0.40
▸ PGR P06401 2/20 0.39
▸ AR P10275 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TP53 P04637 1/20 0.38

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
SCHEMBL27144626 1.00 MEN1 (0.45) MEN1KMT2ACA1CA2CES2
SCHEMBL30770623 0.90 MEN1 (0.41) MEN1KMT2ACA1CA2CES2
SCHEMBL23440639 0.90 HSPB1 (0.48) MEN1KMT2ACA1CA2CES2
SCHEMBL23440636 0.90 HSPB1 (0.48) MEN1KMT2ACA1CA2CES2
SCHEMBL15536414 0.89 ALDH1A1 (0.50) MEN1KMT2ACA1CA2CES2
SCHEMBL23803196 0.89 ALDH1A1 (0.50) MEN1KMT2ACA1CA2CES2
SCHEMBL23803197 0.89 ALDH1A1 (0.50) MEN1KMT2ACA1CA2CES2
SCHEMBL17712319 0.89 ALDH1A1 (0.50) MEN1KMT2ACA1CA2CES2
SCHEMBL17760460 0.89 ALDH1A1 (0.50) MEN1KMT2ACA1CA2CES2
SCHEMBL15536216 0.89 ALDH1A1 (0.50) MEN1KMT2ACA1CA2CES2

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
EP-3831388-B1 CYCLOPENTENYL PURINE DERIVATIVE OR SALT THEREOF FOR USE IN SUPPRESSING ADENOVIRUS FUJIFILM CORP (JP) 2024-02-28 — — EP disclosed
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