SCHEMBL27736617

SCHEMBL27736617

O=[N+]([O-])CC(c1ccc([N+](=O)[O-])cc1)c1ccc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
CYP19A1 P11511 1/20 0.41
POLB P06746 1/20 0.40
CNR2 P34972 2/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
PHLPP2 Q6ZVD8 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 2/20 0.38
PSMD14 O00487 1/20 0.38
MMP2 P08253 1/20 0.38
HPGD P15428 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
SCHEMBL27736616 1.00 CNR1 (0.50) CNR1ALDH1A1MEN1KMT2ACYP19A1
SCHEMBL27715904 0.88 CNR1 (0.58) CNR1ALDH1A1MEN1KMT2APOLB
SCHEMBL19002935 0.88 CNR1 (0.58) CNR1ALDH1A1MEN1KMT2APOLB
SCHEMBL27736571 0.85 CNR1 (0.50) CNR1ALDH1A1MEN1KMT2APOLB
SCHEMBL27736569 0.85 CNR1 (0.50) CNR1ALDH1A1MEN1KMT2APOLB
SCHEMBL27736566 0.85 MEN1 (0.55) CNR1MEN1KMT2APOLBCNR2
SCHEMBL27736567 0.85 MEN1 (0.55) CNR1MEN1KMT2APOLBCNR2
SCHEMBL27715775 0.85 CNR1 (0.47) CNR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL27715773 0.85 CNR1 (0.47) CNR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL27736575 0.83 CNR1 (0.48) CNR1ALDH1A1MEN1KMT2APOLB

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-101239939-A Chirality five-membered heterocyclic compound and high enantioselectivity preparation method thereof UNIV BEIJING (CN) 2008-08-13 CN disclosed