SCHEMBL7719622

SCHEMBL7719622

O=C(Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccco1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
PKM P14618 1/20 0.58
KMT2A Q03164 9/20 0.58
MEN1 O00255 8/20 0.58
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 7/20 0.55
POLB P06746 1/20 0.55
THRB P10828 1/20 0.55
LMNA P02545 3/20 0.54
HTT P42858 4/20 0.54
MAPK1 P28482 1/20 0.54
RORC P51449 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL7783888 0.85 MAPT (0.61) ALDH1A1PKMKMT2AMEN1NPC1
SCHEMBL10752115 0.81 ALDH1A1 (0.73) ALDH1A1PKMKMT2AMEN1NPC1
SCHEMBL7716932 0.81 ALDH1A1 (1.00) ALDH1A1PKMKMT2AMEN1NPC1
SCHEMBL7716920 0.81 ALDH1A1 (0.73) ALDH1A1PKMKMT2AMEN1NPC1
SCHEMBL26416850 0.81 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL6816902 0.81 ALDH1A1 (0.72) ALDH1A1PKMKMT2AMEN1NPC1
SCHEMBL22734230 0.80 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL11009493 0.79 ALDH1A1 (0.60) ALDH1A1PKMKMT2AMEN1NPC1
SCHEMBL13219558 0.79 ALDH1A1 (0.81) ALDH1A1PKMKMT2AMEN1NPC1
SCHEMBL7718005 0.79 ALDH1A1 (0.69) ALDH1A1PKMKMT2AMEN1NPC1

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-6380243-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES- 6 AND -7, AND KAPOSI HERPESVIRUS. AMERICAN HOME PRODUCTS CORPORATION 2002-04-30 US disclosed