SCHEMBL15919292

SCHEMBL15919292

Cc1ccc2c(c1)C(=O)[C@@]1(O)CCN(c3ccccc3)C1=N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 1.00
▸ KMT2A Q03164 5/20 1.00
▸ MAPT P10636 4/20 1.00
▸ KDM4E B2RXH2 4/20 1.00
▸ CYP3A4 P08684 2/20 1.00
▸ CYP1A2 P05177 1/20 1.00
▸ CYP2D6 P10635 1/20 1.00
▸ CYP2C9 P11712 1/20 1.00
▸ CYP2C19 P33261 1/20 1.00
▸ ALOX15 P16050 1/20 1.00
▸ CASP1 P29466 1/20 1.00
▸ MYH9 P35579 1/20 1.00
▸ MYH10 P35580 1/20 1.00
▸ CASP7 P55210 1/20 1.00
▸ HBB P68871 1/20 1.00
▸ MYH2 Q9UKX2 1/20 0.62
▸ METAP2 P50579 8/20 0.42
▸ HSD11B1 P28845 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL29438548 1.00 MEN1 (1.00) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL4330339 1.00 MEN1 (1.00) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL29354793 1.00 MEN1 (1.00) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL30075966 1.00 MEN1 (1.00) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL4330341 1.00 MEN1 (1.00) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL23909200 0.92 MEN1 (0.85) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL23235584 0.92 MEN1 (0.85) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL21067621 0.91 MEN1 (0.83) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL23909209 0.90 MEN1 (0.82) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL23909208 0.90 MEN1 (0.82) MEN1KMT2AMAPTKDM4ECYP3A4

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-2014117021-A2 METHODS, COMPOSITIONS, KITS, AND SYSTEMS FOR SELECTIVE ENRICHMENT OF TARGET CELLS Xcell Biosciences, Inc. (US) 2014-07-31 — — WO disclosed
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