SCHEMBL28100533

SCHEMBL28100533

O=C(Cl)OC(=O)Sc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 5/20 0.33
ALDH1A1 P00352 4/20 0.33
HTT P42858 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
S1PR2 O95136 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 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
SCHEMBL12480841 0.80 TERT (0.38) TERTCES2CES1MEN1KMT2A
SCHEMBL5847804 0.77 CES2 (0.42) TERTCES2CES1MEN1KMT2A
SCHEMBL28218126 0.72 CES2 (0.38) CES2CES1MEN1KMT2ACA1
SCHEMBL27541249 0.70 CES2 (0.44) TERTCES2CES1MEN1KMT2A
SCHEMBL7165481 0.69 MAPT (0.43) TERTCES2CES1MEN1KMT2A
SCHEMBL15694511 0.69 CES2 (0.42) TERTCES2CES1MEN1KMT2A
SCHEMBL13554366 0.68 HTR7 (0.44) TERTCES2CES1MEN1KMT2A
SCHEMBL28338821 0.67 CES2 (0.41) TERTCES2CES1MEN1KMT2A
SCHEMBL6683261 0.66 HPGD (0.46) CES2CES1MEN1KMT2ACYP1A2
SCHEMBL10452374 0.65 MAPT (0.46) TERTCES2CES1MEN1KMT2A

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-104619698-B Pyrrolidin derivatives and the purposes as complement pathway regulator thereof 诺华股份有限公司 2016-08-31 CN disclosed