SCHEMBL30833010

SCHEMBL30833010

[2H]C(C(=O)c1ccccc1F)C(C#N)C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
CTNNB1 P35222 3/20 0.44
WNT3A P56704 3/20 0.44
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL29531094 0.83 PTPN1 (0.49) PTPN1ERCC5FEN1CTNNB1WNT3A
SCHEMBL194204 0.83 PTPN1 (0.49) PTPN1ERCC5FEN1CTNNB1WNT3A
SCHEMBL138307 0.74 PTPN1 (0.53) PTPN1ERCC5FEN1CTNNB1WNT3A
SCHEMBL28220980 0.73 PTPN1 (0.49) PTPN1ERCC5FEN1CTNNB1WNT3A
SCHEMBL194599 0.73 PTPN1 (0.39) PTPN1ERCC5FEN1CTNNB1WNT3A
SCHEMBL5746000 0.72 PTPN1 (0.44) PTPN1ERCC5FEN1CTNNB1WNT3A
SCHEMBL31326029 0.72 PTPN1 (0.47) PTPN1ERCC5FEN1CTNNB1WNT3A
SCHEMBL29010873 0.72 PTPN1 (0.44) PTPN1ERCC5FEN1CTNNB1WNT3A
SCHEMBL21758650 0.71 CTNNB1 (0.51) PTPN1ERCC5FEN1CTNNB1WNT3A
SCHEMBL27864902 0.71 PTPN1 (0.43) PTPN1ERCC5FEN1CTNNB1WNT3A

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-113149883-B Process for preparing pyrrole compounds 武田药品工业株式会社 2024-04-02 CN disclosed