SCHEMBL28100413

SCHEMBL28100413

O=CNc1cc(NC=O)c2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.46
PABPC1 P11940 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TLR8 Q9NR97 2/20 0.39
TLR7 Q9NYK1 1/20 0.39
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.37
ACP1 P24666 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
GALR3 O60755 1/20 0.35
RAB9A P51151 1/20 0.35
ERN1 O75460 1/20 0.35

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
SCHEMBL27978560 0.81 LMNA (0.41) SLC2A1ALDH1A1TLR8TLR7HTT
SCHEMBL1980544 0.81 IGF1R (0.52) PABPC1ALDH1A1HTTMEN1KMT2A
SCHEMBL10133727 0.81 KMT2A (0.57) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL1975113 0.81 NCF1 (0.51) PABPC1ALDH1A1HTTKMT2ATSHR
SCHEMBL213577 0.81 MYC (0.41) ALDH1A1TLR8HTTMEN1KMT2A
SCHEMBL28193696 0.80 SLC2A1 (0.56) SLC2A1ACP1SMN1; SMN2KDM4E
SCHEMBL8646097 0.75 CYP2C9 (0.52) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL557654 0.72 KDM1A (0.53) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL2002464 0.71 HTR1A (0.58) PABPC1HTTSMN1; SMN2
SCHEMBL27860753 0.71 KMT2A (0.50) PABPC1ALDH1A1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074814-A Glucose transport inhibitor 拜耳制药股份公司 2017-08-18 CN claimed
CN-106687455-A Glucose transport inhibitors 拜耳制药股份公司 2017-05-17 CN claimed
CN-106029647-A Glucose transport inhibitors 拜耳制药股份公司 2016-10-12 CN claimed
CN-107074814-A Glucose transport inhibitor 拜耳制药股份公司 2017-08-18 CN disclosed
CN-106687455-A Glucose transport inhibitors 拜耳制药股份公司 2017-05-17 CN disclosed
CN-106029647-A Glucose transport inhibitors 拜耳制药股份公司 2016-10-12 CN disclosed