SCHEMBL5617530

SCHEMBL5617530

C=CCN1C(=O)CCC(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 6/20 0.57
CRBN Q96SW2 6/20 0.57
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ACHE P22303 1/20 0.42
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
GAA P10253 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
ATM Q13315 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA4 P22748 1/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL19359396 0.86 DDB1 (0.60) DDB1CRBNMEN1KMT2AACHE
SCHEMBL19359463 0.84 DDB1 (0.58) DDB1CRBNMEN1KMT2AACHE
SCHEMBL4936560 0.84 DDB1 (0.58) DDB1CRBNMEN1KMT2AACHE
SCHEMBL19359289 0.84 DDB1 (0.58) DDB1CRBNMEN1KMT2AACHE
SCHEMBL12041909 0.84 DDB1 (0.53) DDB1CRBNMEN1KMT2AACHE
SCHEMBL17873805 0.84 DDB1 (0.60) DDB1CRBNMEN1KMT2AACHE
SCHEMBL4119644 0.82 CASP3 (0.49) DDB1CRBNKMT2AALDH1A1POLB
SCHEMBL4937839 0.82 DDB1 (0.55) DDB1CRBNMEN1KMT2AACHE
SCHEMBL21402722 0.81 DDB1 (0.54) DDB1CRBNMEN1KMT2AACHE
SCHEMBL19359460 0.81 DDB1 (0.64) DDB1CRBNMEN1KMT2AACHE

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
WO-2007076365-A2 METHODS FOR DIAGNOSING AND TREATING A MYCOBACTERIUM AVIUM SUBSPECIES PARATUBERCULOSIS INFECTION GREENSTEIN ROBERT J (US) 2007-07-05 WO disclosed