SCHEMBL11545477

SCHEMBL11545477

COc1cc([N+](=O)[O-])c2nccc(C)c2c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
LMNA P02545 8/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 7/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPT P10636 8/20 0.39
L3MBTL1 Q9Y468 5/20 0.39
KDM4E B2RXH2 4/20 0.39
PKM P14618 2/20 0.39
POLB P06746 2/20 0.39
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL1382900 0.86 MEN1 (0.43) MEN1KMT2ALMNACASP3SENP8
SCHEMBL10946051 0.85 MEN1 (0.43) MEN1KMT2ALMNACASP3SENP8
SCHEMBL13811021 0.85 MEN1 (0.43) MEN1KMT2ALMNACASP3SENP8
SCHEMBL9723244 0.85 MAPT (0.45) MEN1KMT2ALMNACASP3SENP8
SCHEMBL29210204 0.85 MEN1 (0.48) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL11072798 0.82 MAOA (0.53) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL11065509 0.80 MAOA (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL10943626 0.78 LMNA (0.39) MEN1KMT2ALMNACASP3SENP8
SCHEMBL10949964 0.78 SMN1; SMN2 (0.39) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL10942288 0.78 SMN1; SMN2 (0.39) MEN1KMT2ALMNASMN1; SMN2MAPT

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
US-4167638-A Process for production of 8-NHR quinolines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1979-09-11 US disclosed