SCHEMBL31076256

SCHEMBL31076256

CC(=O)Nc1cccnc1NC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
SLC40A1 Q9NP59 1/20 0.47
ATM Q13315 2/20 0.46
POLB P06746 2/20 0.44
CYP2C19 P33261 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GFER P55789 1/20 0.43
S100A4 P26447 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
GAA P10253 1/20 0.43
CLK1 P49759 1/20 0.43
BRD4 O60885 1/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL4272878 1.00 MEN1 (0.60) MEN1KMT2AALDH1A1HPGDSLC40A1
SCHEMBL20732519 0.89 MEN1 (0.57) MEN1KMT2AALDH1A1HPGDSLC40A1
SCHEMBL269101 0.81 MEN1 (0.60) MEN1KMT2AALDH1A1HPGDSLC40A1
SCHEMBL30421156 0.81 RAB9A (0.65) KMT2AALDH1A1HPGDATMPOLB
SCHEMBL5629538 0.81 RAB9A (0.65) KMT2AALDH1A1HPGDATMPOLB
SCHEMBL17992348 0.81 MEN1 (0.60) MEN1KMT2AALDH1A1HPGDSLC40A1
SCHEMBL4449131 0.81 NPC1 (0.56) MEN1KMT2AHPGDATMPOLB
SCHEMBL18356294 0.80 MEN1 (0.48) MEN1KMT2AALDH1A1HPGDTRPV1
SCHEMBL25043753 0.79 MEN1 (0.58) MEN1KMT2AALDH1A1HPGDSLC40A1
SCHEMBL20840585 0.79 MEN1 (0.58) MEN1KMT2AALDH1A1HPGDSLC40A1

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
EP-3611228-B1 ASSOCIATIVE POLYMERS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS CALIFORNIA INST OF TECHN (US) 2024-08-28 EP claimed