SCHEMBL13635924

SCHEMBL13635924

CCCCC(C)CN1C(=O)O/C(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.36
MEN1 O00255 6/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GPR35 Q9HC97 1/20 0.36
ALDH1A1 P00352 6/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AR P10275 1/20 0.34
HPGD P15428 4/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 3/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
CYP2C9 P11712 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 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
SCHEMBL13528883 0.83 MEN1 (0.42) KMT2AMEN1NPC1RAB9AGPR35
SCHEMBL1104316 0.81 ALDH1A1 (0.49) KMT2AMEN1NPC1RAB9AGPR35
SCHEMBL12535545 0.77 MAPT (0.46) KMT2AMEN1NPC1RAB9AGPR35
SCHEMBL31469813 0.75 GSK3A (0.42) KMT2AMEN1NPC1RAB9AGPR35
SCHEMBL13070217 0.75 GSK3A (0.42) KMT2AMEN1NPC1RAB9AGPR35
SCHEMBL1104345 0.75 GSK3A (0.42) KMT2AMEN1NPC1RAB9AGPR35
SCHEMBL2622700 0.73 MEN1 (0.64) KMT2AMEN1NPC1RAB9AGPR35
SCHEMBL14414135 0.73 MEN1 (0.43) KMT2AMEN1NPC1RAB9AGPR35
SCHEMBL12319460 0.72 MEN1 (0.41) KMT2AMEN1NPC1RAB9AGPR35
SCHEMBL14589310 0.72 USP2 (0.42) KMT2AMEN1NPC1RAB9AGPR35

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
EP-1767600-B1 Ink composition, ink jet recording method, method for producing planographic printing plate and planographic printing plate FUJIFILM CORP (JP) 2009-11-18 EP disclosed
EP-1927477-B1 Ink composition for inkjet-recording and method for inkjet-recording FUJIFILM CORP (JP) 2009-03-18 EP disclosed