SCHEMBL28347181

SCHEMBL28347181

O=C(O)N1CCc2cc(OC(F)F)cc(F)c2C1=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
FPR1 P21462 3/20 0.32
FPR2 P25090 3/20 0.32
NOTUM Q6P988 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
SCHEMBL16375061 0.83 GPR119 (0.37)
SCHEMBL16375196 0.80 MEN1 (0.38) SMN1; SMN2MEN1KMT2AFPR1FPR2
SCHEMBL16367610 0.78 HSD11B1 (0.35) FPR1FPR2
SCHEMBL26922623 0.71 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL16346678 0.69 GPR52 (0.39) FPR1FPR2
SCHEMBL28347176 0.68 ROCK1 (0.42) NOTUM
SCHEMBL17542683 0.64 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AHTT
SCHEMBL20639114 0.64 TAS2R14 (0.39) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL16375060 0.63 ESR2 (0.46) MAPTNOTUM
SCHEMBL16375062 0.62 ABHD6 (0.38) ALDH1A1MAPTMEN1KMT2APOLB

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
CN-110698481-A Heteroaryl pyridone and aza-pyridone amide compounds 豪夫迈·罗氏有限公司 2020-01-17 CN disclosed