SCHEMBL16655258

SCHEMBL16655258

CN(C)CCOc1ccc([AsH2])c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.58
CHRNA4 P43681 2/20 0.58
KDM4E B2RXH2 5/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.45
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
LTA4H P09960 1/20 0.42
LMNA P02545 2/20 0.41

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
SCHEMBL30344322 0.84 CHRNB2 (0.59) CHRNB2CHRNA4KDM4EGAAMAPT
SCHEMBL311014 0.84 CHRNB2 (0.59) CHRNB2CHRNA4KDM4EGAAMAPT
SCHEMBL213189 0.83 CHRNB2 (0.62) CHRNB2CHRNA4KDM4EGAAMAPT
SCHEMBL30578533 0.81 MAPT (0.61) CHRNB2CHRNA4KDM4EGAAMAPT
SCHEMBL8915357 0.81 MAPT (0.61) CHRNB2CHRNA4KDM4EGAAMAPT
SCHEMBL10137307 0.80 CHRNB2 (0.58) CHRNB2CHRNA4KDM4EGAAMAPT
SCHEMBL30380932 0.80 CHRNB2 (0.58) CHRNB2CHRNA4KDM4EGAAMAPT
SCHEMBL1962346 0.80 CHRNB2 (0.58) CHRNB2CHRNA4KDM4EGAAMAPT
SCHEMBL109773 0.80 MAPT (0.72) CHRNB2CHRNA4KDM4EGAAMAPT
SCHEMBL28044446 0.80 CHRNB2 (0.54) CHRNB2CHRNA4KDM4EGAAMAPT

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
EP-3057943-A1 PYRIMIDINE FGFR4 INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2016-08-24 EP disclosed
WO-2015057938-A1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed