SCHEMBL7815731

SCHEMBL7815731

COC1(Cl)C=CC([N+](=O)[O-])=CC1C(=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.33
LMNA P02545 3/20 0.33
POLB P06746 1/20 0.33
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
ALDH1A1 P00352 8/20 0.32
MAPT P10636 5/20 0.32
MAPK1 P28482 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 2/20 0.32
ABCC4 O15439 1/20 0.32
PLIN1 O60240 1/20 0.32
CACNA1F O60840 1/20 0.32
GMNN O75496 1/20 0.32
KCNK2 O95069 1/20 0.32
ABCB11 O95342 1/20 0.32
GSR P00390 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL27734128 0.81 CES2 (0.35) KMT2APOLBCES2CES1ALDH1A1
SCHEMBL8345590 0.76 ALDH1A1 (0.44) KMT2ALMNACES2CES1ALDH1A1
SCHEMBL27671644 0.75 ACHE (0.40) KMT2ALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL7459017 0.75 ALDH1A1 (0.31) ALDH1A1GSR
SCHEMBL27502523 0.71 CES2 (0.38) KMT2APOLBCES2CES1ALDH1A1
SCHEMBL9001399 0.68 CES1 (0.34) KMT2ACES2CES1ALDH1A1MAPT
SCHEMBL28019025 0.68 MAPT (0.34) KMT2ALMNACES2CES1ALDH1A1
SCHEMBL27335677 0.67 CES1 (0.33) KMT2ACES2CES1ALDH1A1MAPT
SCHEMBL9149341 0.65 SMN1; SMN2 (0.35) KMT2ALMNACES2CES1ALDH1A1
SCHEMBL27597829 0.65 ALDH1A1 (0.35) KMT2ALMNAALDH1A1MAPTMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150962-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS FROM CARBAMATE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2001-11-07 EP disclosed
WO-2000049003-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS FROM CARBAMATE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-08-24 WO disclosed