SCHEMBL8216746

SCHEMBL8216746

NNC(=O)CN(C(N)=O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
BCL2A1 Q16548 1/20 0.35
CYP3A4 P08684 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
SCHEMBL27575737 0.74 CYP3A4 (0.43) LMNAALDH1A1KMT2AMEN1BCL2A1
Hydrochloric Acid SCHEMBL28795770 0.74 ALDH1A1 (0.44) ALDH1A1CYP3A4
SCHEMBL5805000 0.72 BCL2A1 (0.43) LMNAALDH1A1KMT2AMEN1BCL2A1
Hydrochloric Acid SCHEMBL27840267 0.71 POLB (0.46) CYP3A4
SCHEMBL4397006 0.71 L3MBTL1 (0.42) L3MBTL1LMNAALDH1A1
SCHEMBL19026948 0.70 POLQ (0.47) LMNAHSD17B10ALDH1A1
SCHEMBL5808336 0.68 KCNN4 (0.45) ALDH1A1
SCHEMBL754150 0.67 GAA (0.63) LMNAALDH1A1KMT2A
SCHEMBL7618380 0.67 MLYCD (0.40)
Hydrochloric Acid SCHEMBL27958929 0.66 KCNN4 (0.43) ALDH1A1

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-2000066573-A2 OXA COMBINATORIAL LIBRARY, PRODUCTION AND USE THEREOF CEREP (FR) 2000-11-09 WO disclosed