SCHEMBL7718019

SCHEMBL7718019

O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1)c1ccco1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.69
MEN1 O00255 11/20 0.69
ALDH1A1 P00352 3/20 0.66
MAPT P10636 9/20 0.63
LMNA P02545 3/20 0.62
HTT P42858 3/20 0.62
POLB P06746 1/20 0.61
THRB P10828 1/20 0.61
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
PKM P14618 2/20 0.58
TSHR P16473 2/20 0.58
MAPK1 P28482 2/20 0.58
TP53 P04637 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
NFKB1 P19838 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL6816902 0.88 ALDH1A1 (0.72) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL7718025 0.86 CYP1A2 (0.68) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL7783257 0.84 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL7821606 0.81 ALDH1A1 (0.68) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL6816232 0.81 MAPT (0.70) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL6458171 0.80 KMT2A (0.77) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL13789013 0.80 MAPT (0.69) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL7783264 0.80 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL6814888 0.80 MAPT (0.72) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL7716932 0.80 ALDH1A1 (1.00) KMT2AMEN1ALDH1A1MAPTLMNA

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