SCHEMBL9316635

SCHEMBL9316635

O=C(CO[PH](=O)Oc1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
KMT2A Q03164 2/20 0.67
MEN1 O00255 1/20 0.67
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
RECQL P46063 1/20 0.44
GBA1 P04062 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX5 P09917 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL5447871 0.80 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL9316639 0.79 ALOX5 (0.54) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL1259531 0.78 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL9316414 0.76 MAPT (0.52) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL9316440 0.72 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL1259532 0.72 RAB9A (0.59) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL1259536 0.72 RAB9A (0.59) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL2013298 0.71 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL6072613 0.70 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL527543 0.69 MAPT (0.71) ALDH1A1KMT2AMEN1HTTMAPT

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-5281523-A Adduct of serine hydrolase and nitrophenyl pnenacyl phosphonate THE CATHOLIC UNIVERSITY OF AMERICA (US) 1994-01-25 US claimed