SCHEMBL7380747

SCHEMBL7380747

O=C(CCCCBr)Nc1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.65
KMT2A Q03164 7/20 0.65
LMNA P02545 6/20 0.65
ALDH1A1 P00352 4/20 0.65
RECQL P46063 1/20 0.58
MAPT P10636 5/20 0.55
HTT P42858 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
MCL1 Q07820 1/20 0.49
RAC1 P63000 1/20 0.48
TRPV1 Q8NER1 1/20 0.47

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
SCHEMBL11577373 0.86 LMNA (0.63) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL7823860 0.86 MEN1 (0.70) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL9843646 0.84 LMNA (0.66) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL5182303 0.83 LMNA (0.69) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL6769086 0.80 LMNA (0.64) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL6593159 0.80 LMNA (0.68) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL16322460 0.78 MEN1 (0.61) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL8133836 0.77 MEN1 (0.60) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL3792013 0.76 LMNA (0.64) MEN1KMT2ALMNAALDH1A1RECQL
SCHEMBL15562567 0.76 LMNA (0.64) MEN1KMT2ALMNAALDH1A1RECQL

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
WO-2000050419-A1 SUBSTITUTED BICYCLIC HETEROCYCLES AND THE USE THEREOF AS THROMBIN INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-08-31 WO disclosed