SCHEMBL5323078

SCHEMBL5323078

O=CC(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)n1ncc2c1-c1ccccc1OC2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.44
▸ SIRT6 Q8N6T7 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ GAA P10253 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL5325470 0.89 TP53 (0.55) TP53LMNAMAPTMEN1KMT2A
SCHEMBL5323358 0.81 MAPT (0.46) TP53LMNAMAPTMEN1KMT2A
SCHEMBL5326013 0.80 KDM4E (0.58) TP53LMNAMAPTMEN1KMT2A
SCHEMBL3189060 0.75 TP53 (0.79) TP53LMNAMAPTMEN1KMT2A
SCHEMBL5326087 0.69 MEN1 (0.46) TP53LMNAMAPTMEN1KMT2A
SCHEMBL4311842 0.67 POLB (0.50) LMNAMAPTMEN1KMT2AGAA
SCHEMBL27583942 0.64 SIRT6 (0.60) SIRT6LMNAMAPTMEN1KMT2A
SCHEMBL8760113 0.64 SIRT6 (0.56) SIRT6LMNAMAPTMEN1KMT2A
SCHEMBL4018419 0.64 MAPT (0.47) LMNAMAPTMEN1KMT2APOLB
SCHEMBL27591247 0.63 SIRT6 (0.52) SIRT6LMNAMAPTMEN1KMT2A

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-2007115232-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 — — WO disclosed
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