SCHEMBL14163233

SCHEMBL14163233

O=C(c1cc(-c2cc3ccccc3s2)ccc1F)N1CCC(O)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ UBE2M P61081 3/20 0.46
▸ DCUN1D1 Q96GG9 3/20 0.46
▸ ALOX5AP P20292 4/20 0.45
▸ FEN1 P39748 4/20 0.45
▸ ERN1 O75460 2/20 0.43
▸ ACLY P53396 1/20 0.41
▸ APP P05067 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PARP1 P09874 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MGLL Q99685 1/20 0.39

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
SCHEMBL312014 0.79 DCK (0.59) UBE2MDCUN1D1
SCHEMBL9867716 0.73 MEN1 (0.67) UBE2MDCUN1D1L3MBTL1MEN1KMT2A
SCHEMBL14163236 0.71 PARP1 (0.48) PARP1MEN1KMT2AMGLL
SCHEMBL8160992 0.65 HSD11B1 (0.54) ERN1MEN1KMT2AMGLL
SCHEMBL19888021 0.65 FASN (0.65) —
SCHEMBL27159530 0.64 APP (0.81) ERN1APPMGLL
SCHEMBL32677328 0.64 APP (0.81) ERN1APPMGLL
SCHEMBL8171370 0.64 GRM5 (0.57) ALOX5APFEN1L3MBTL1MEN1KMT2A
SCHEMBL13243065 0.64 ALOX5AP (0.48) ALOX5APFEN1PARP1MEN1KMT2A
SCHEMBL13243061 0.64 ALOX5AP (0.48) ALOX5APFEN1PARP1MEN1KMT2A

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-2008076779-A2 2-(PIPERIDIN-4-YL0XY)PYRIMIDIN-4-AMINE DERIVATIVES AS DEOXYCYTIDINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-06-26 — — WO disclosed
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