SCHEMBL5325906

SCHEMBL5325906

Cc1c([N+](=O)[O-])ccc(OCC(C)(OCc2ccccc2)C(C)O)c1F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
CTSV O60911 2/20 0.36
CTSL P07711 2/20 0.36
MYC P01106 1/20 0.35
MAX P61244 1/20 0.35
PDCD1 Q15116 3/20 0.35
CD274 Q9NZQ7 3/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
AAK1 Q2M2I8 1/20 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 0.83 KMT2A (0.38) KMT2AMEN1ALDH1A1HTTCTSV
SCHEMBL5325901 0.83 KMT2A (0.38) KMT2AMEN1ALDH1A1HTTCTSV
SCHEMBL2477081 0.80 MAPT (0.49) KMT2AMEN1CTSVCTSLPOLB
SCHEMBL5325354 0.80 L3MBTL1 (0.38) KMT2AALDH1A1HTTAAK1MAPT
SCHEMBL5321538 0.75 ALDH1A1 (0.39) KMT2AALDH1A1HTTPDCD1CD274
SCHEMBL573614 0.72 MAPT (0.53) KMT2AMEN1CTSVCTSLPOLB
SCHEMBL5325348 0.72 L3MBTL1 (0.43) KMT2AALDH1A1HTTCYP1A2POLB
SCHEMBL573839 0.69 CTSV (0.49) KMT2AMEN1HTTCTSVCTSL
SCHEMBL34472997 0.69 TDP1 (0.43) KMT2AMEN1ALDH1A1HTTCYP3A4
SCHEMBL2477351 0.67 CTSV (0.50) KMT2AMEN1CTSVCTSLPOLB

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