SCHEMBL5325901

SCHEMBL5325901

Cc1c([N+](=O)[O-])ccc(OC[C@H](O)C(C)(C)OCc2ccccc2)c1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.38
MEN1 O00255 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MYC P01106 1/20 0.37
MAX P61244 1/20 0.37
CTSV O60911 2/20 0.36
CTSL P07711 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
MAPT P10636 2/20 0.34

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
SCHEMBL5328476 1.00 KMT2A (0.38) KMT2AMEN1L3MBTL1MYCMAX
SCHEMBL5325906 0.83 KMT2A (0.37) KMT2AMEN1MYCMAXCTSV
SCHEMBL5325348 0.81 L3MBTL1 (0.43) KMT2AL3MBTL1ALDH1A1HTTMAPT
SCHEMBL2477081 0.81 MAPT (0.49) KMT2AMEN1L3MBTL1CTSVCTSL
SCHEMBL573614 0.72 MAPT (0.53) KMT2AMEN1L3MBTL1CTSVCTSL
SCHEMBL5321538 0.71 ALDH1A1 (0.39) KMT2AL3MBTL1ALDH1A1HTTPDCD1
SCHEMBL5325354 0.71 L3MBTL1 (0.38) KMT2AL3MBTL1ALDH1A1HTTMAPT
SCHEMBL573839 0.70 CTSV (0.49) KMT2AMEN1CTSVCTSLNPC1
SCHEMBL34472997 0.69 TDP1 (0.43) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL2477351 0.68 CTSV (0.50) KMT2AMEN1L3MBTL1CTSVCTSL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007121416-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 WO disclosed
WO-2007121416-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 WO disclosed