SCHEMBL12427044

SCHEMBL12427044

CCOC(OCC)c1ccc(CN(CC)c2ccc([N+](=O)[O-])c3nonc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ KCNH2 Q12809 1/20 0.44
▸ GSTP1 P09211 8/20 0.40
▸ GSTM2 P28161 8/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SLC5A2 P31639 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ IDO1 P14902 2/20 0.37
▸ TDO2 P48775 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL1076589 0.80 MEN1 (0.60) MEN1KMT2AKCNH2GSTP1GSTM2
SCHEMBL12427043 0.78 MEN1 (0.39) MEN1KMT2AKCNH2GSTP1GSTM2
SCHEMBL12509984 0.75 MEN1 (0.36) MEN1KMT2AKCNH2GSTP1GSTM2
SCHEMBL3505281 0.74 MEN1 (0.59) MEN1KMT2AKCNH2GSTP1GSTM2
SCHEMBL25343517 0.73 IDO1 (0.49) MEN1KMT2AKCNH2GSTP1GSTM2
SCHEMBL17914175 0.72 MEN1 (0.63) MEN1KMT2AGSTP1GSTM2ALDH1A1
SCHEMBL25342264 0.71 IDO1 (0.47) MEN1KMT2AKCNH2GSTP1GSTM2
SCHEMBL17571858 0.70 MEN1 (0.52) MEN1KMT2AKCNH2GSTP1GSTM2
SCHEMBL4439764 0.70 MEN1 (0.54) MEN1KMT2AKCNH2GSTP1GSTM2
SCHEMBL6831372 0.69 MEN1 (0.70) MEN1KMT2AGSTP1GSTM2ALDH1A1

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
US-7977491-B2 reacting with ketone compound in presence of solvent FUJIFILM CORPORATION (JP) 2011-07-12 — — US disclosed
US-7977491-B2 reacting with ketone compound in presence of solvent FUJIFILM CORPORATION (JP) 2011-07-12 — — US disclosed
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