SCHEMBL16622729

SCHEMBL16622729

BCCn1nc([N+](=O)[O-])cc1CO

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL18872334 0.87 HTT (0.37) HTTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL31497522 0.84 HTT (0.38) HTTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL173687 0.84 HTT (0.38) HTTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL25509748 0.84 HTT (0.41) HTTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL25888930 0.82 MEN1 (0.37) HTTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL20073784 0.81 HTT (0.43) HTTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL16794437 0.81 MEN1 (0.40) HTTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL23562252 0.77 HTT (0.34) HTTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL16814201 0.77 HTT (0.39) HTTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL20445710 0.77 HTT (0.39) HTTMEN1KMT2AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611798-B1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-04-08 EP disclosed