SCHEMBL9713987

SCHEMBL9713987

C[n+]1c2ccccc2c(C(=O)N2C(=O)C(=O)c3ccccc32)c2ccccc21.O=S(=O)(O)F.O=S(=O)([O-])F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.45
CTRB1 P17538 1/20 0.36
TERT O14746 3/20 0.35
TTR P02766 1/20 0.34
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
AGTR1 P30556 1/20 0.31
BCHE P06276 3/20 0.31
MAPT P10636 2/20 0.31
TGM2 P21980 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
ACHE P22303 2/20 0.30

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
SCHEMBL9713984 1.00 CES1 (0.45) CES1CTRB1TERTTTRALDH1A1
SCHEMBL9713992 0.98 CES1 (0.47) CES1CTRB1TERTTTRALDH1A1
SCHEMBL9667222 0.98 CES1 (0.47) CES1CTRB1TERTTTRALDH1A1
SCHEMBL9714116 0.91 CES1 (0.54) CES1CTRB1TERTTTRALDH1A1
SCHEMBL9669290 0.76 ACHE (0.38) TERTACHE
SCHEMBL8997349 0.72 ACHE (0.44) ALDH1A1HSD17B10MEN1KMT2AAGTR1
SCHEMBL8997331 0.72 ACHE (0.44) ALDH1A1HSD17B10MEN1KMT2AAGTR1
SCHEMBL8997328 0.72 ACHE (0.42) ACHE
SCHEMBL9669192 0.71 CES1 (0.56) CES1CTRB1TTRALDH1A1MEN1
SCHEMBL9667103 0.70 ELANE (0.43) ALDH1A1HSD17B10MEN1KMT2AMAPT

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
WO-1992009580-A1 CHEMILUMINESCENT COMPOUNDS BECKMAN INSTRUMENTS, INC. (US) 1992-06-11 WO disclosed