SCHEMBL9754154

SCHEMBL9754154

O=C(O)CC(=O)Nc1c(F)cc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 2/20 0.40
GPR17 Q13304 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL9754491 0.80 KMT2A (0.55) SMN1; SMN2KMT2AMEN1ALDH1A1CYP3A4
SCHEMBL3954552 0.80 ALDH1A1 (0.49) FUCA1SMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL6273637 0.80 FUCA1 (0.47) FUCA1SMN1; SMN2KMT2ACES2CES1
SCHEMBL2092769 0.79 RAPGEF4 (0.42) FUCA1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL15480436 0.78 HDAC3 (0.49) FUCA1SMN1; SMN2POLBKMT2AMEN1
SCHEMBL2710816 0.78 KMT2A (0.53) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL18190919 0.78 GRIN2D (0.42) FUCA1SMN1; SMN2GPR17KMT2AMEN1
SCHEMBL18415476 0.76 CES2 (0.43) FUCA1SMN1; SMN2KMT2ARAB9ACES2
SCHEMBL8234531 0.76 RAB9A (0.63) FUCA1SMN1; SMN2POLBKMT2AMEN1
SCHEMBL13973099 0.74 FUCA1 (0.43) FUCA1SMN1; SMN2KMT2AMEN1ALDH1A1

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-1991015464-A1 AMIDE ESTER ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1991-10-17 WO claimed