SCHEMBL28138593

SCHEMBL28138593

N#Cc1ccc(Cn2cc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
LMNA P02545 4/20 0.55
MAPT P10636 3/20 0.55
MAPK1 P28482 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP19A1 P11511 4/20 0.55
HTT P42858 2/20 0.52
ALDH1A1 P00352 3/20 0.49
KCNJ1 P48048 1/20 0.48
KCNH2 Q12809 1/20 0.48
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
TGM2 P21980 1/20 0.44

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
SCHEMBL14699029 0.84 CREBBP (0.55) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL14228185 0.81 LMNA (0.63) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL21523770 0.81 LMNA (0.58) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL2360147 0.81 ALDH1A1 (0.60) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL1978804 0.80 MEN1 (0.56) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL712395 0.78 MEN1 (0.58) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL166869 0.78 LMNA (0.55) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL3599147 0.78 KMT2A (0.59) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL14200041 0.78 ALDH1A1 (0.60) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL29276679 0.78 MEN1 (0.55) MEN1KMT2ALMNAMAPTMAPK1

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
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