SCHEMBL6930338

SCHEMBL6930338

O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1c[nH]cn1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.43
▸ VHL P40337 5/20 0.38
▸ ACE P12821 3/20 0.38
▸ MME P08473 1/20 0.36
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ GAA P10253 1/20 0.33
▸ ELOC Q15369 3/20 0.32
▸ ELOB Q15370 3/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL6930341 1.00 ATM (0.43) ATMVHLACEMMEMEN1
SCHEMBL4440457 0.80 ATM (0.39) ATMACEMME
SCHEMBL4440451 0.80 ATM (0.39) ATMACEMME
SCHEMBL15125848 0.78 VHL (0.49) VHLELOCELOB
SCHEMBL12798577 0.72 ACE (0.55) ATMACEPOLB
SCHEMBL29720853 0.72 NAALAD2 (0.37) VHLACE
SCHEMBL6933806 0.69 ATM (0.61) ATMVHLACEMMEMEN1
SCHEMBL6933807 0.69 ATM (0.61) ATMVHLACEMMEMEN1
SCHEMBL1991504 0.69 ATM (0.61) ATMVHLACEMMEMEN1
SCHEMBL8444112 0.68 SMN1; SMN2 (0.33) —

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-1009420-B1 CONJUGATES USEFUL IN THE TREATMENT OF PROSTATE CANCER MERCK & CO INC (US) 2003-12-17 — — EP disclosed
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