SCHEMBL28096883

SCHEMBL28096883

O=C(Nc1ccccc1[N+](=O)[O-])OBr

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
KCNMA1 Q12791 1/20 0.55
PDK1 Q15118 1/20 0.55
PDK2 Q15119 1/20 0.55
PDK3 Q15120 1/20 0.55
PDK4 Q16654 1/20 0.55
PHGDH O43175 1/20 0.54
RAB9A P51151 4/20 0.52
GAA P10253 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TP53 P04637 1/20 0.52
NPC1 O15118 4/20 0.51
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL3659889 0.85 KMT2A (0.65) KMT2AMEN1KCNMA1PDK1PDK2
SCHEMBL11332310 0.80 KMT2A (0.73) KMT2AMEN1KCNMA1PDK1PDK2
SCHEMBL6857920 0.80 KMT2A (0.73) KMT2AMEN1KCNMA1PDK1PDK2
SCHEMBL6535747 0.80 KMT2A (0.62) KMT2AMEN1KCNMA1PDK1PDK2
SCHEMBL1733957 0.80 PDK1 (0.58) KMT2AMEN1KCNMA1PDK1PDK2
SCHEMBL1745798 0.79 KMT2A (0.71) KMT2AMEN1KCNMA1PDK1PDK2
SCHEMBL30388225 0.79 KMT2A (0.71) KMT2AMEN1KCNMA1PDK1PDK2
SCHEMBL175272 0.79 MEN1 (0.71) KMT2AMEN1KCNMA1PDK1PDK2
SCHEMBL6377318 0.79 KMT2A (0.71) KMT2AMEN1KCNMA1PDK1PDK2
SCHEMBL113558 0.79 MEN1 (0.71) KMT2AMEN1KCNMA1PDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110354128-A Pyrimidine FGFR4 inhibitors 卫材R&D管理有限公司 2019-10-22 CN disclosed
CN-105899490-B Pyrimidine FGFR4 Inhibitors 卫材R&D管理有限公司 2019-07-23 CN disclosed
CN-105899490-A Pyrimidine fgfr4 inhibitors 卫材R&D管理有限公司 2016-08-24 CN disclosed