SCHEMBL28096884

SCHEMBL28096884

O=C(O)N(Br)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
TDP1 Q9NUW8 3/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GPR35 Q9HC97 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 1/20 0.41
TSHR P16473 2/20 0.41
CTSD P07339 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTSB P07858 1/20 0.41
MAOB P27338 1/20 0.41
ESR2 Q92731 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ASPH Q12797 1/20 0.40
KDM8 Q8N371 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL7114177 0.84 HSD17B10 (0.44) CYP1A2TDP1MAPTALDH1A1GPR35
SCHEMBL7833774 0.79 HSD17B10 (0.48) CYP1A2TDP1ALDH1A1GPR35MEN1
SCHEMBL169340 0.79 MAPT (0.44) CYP1A2TDP1MAPTALDH1A1GPR35
SCHEMBL601391 0.79 ATM (0.46) CYP1A2TDP1MAPTALDH1A1GPR35
SCHEMBL4737907 0.79 MAPT (0.44) CYP1A2TDP1MAPTALDH1A1GPR35
SCHEMBL4725428 0.79 MAPT (0.44) CYP1A2TDP1MAPTALDH1A1GPR35
SCHEMBL4737915 0.79 MAPT (0.44) CYP1A2TDP1MAPTALDH1A1GPR35
SCHEMBL27661939 0.79 MAPT (0.44) CYP1A2TDP1MAPTALDH1A1GPR35
SCHEMBL601392 0.79 ATM (0.46) CYP1A2TDP1MAPTALDH1A1GPR35
Hydrochloric Acid SCHEMBL11248291 0.77 ATM (0.45) CYP1A2TDP1MAPTALDH1A1GPR35

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