SCHEMBL30407560

SCHEMBL30407560

COC(=O)c1cc(-c2ccc(NC(=O)Oc3ccccc3)cc2)ccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PORCN Q9H237 2/20 0.69
▸ KIT P10721 1/20 0.54
▸ PDGFRA P16234 1/20 0.54
▸ ALDH1A1 P00352 6/20 0.53
▸ MAPT P10636 3/20 0.53
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ THRB P10828 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ GFER P55789 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ RAD51 Q06609 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ FAAH O00519 4/20 0.47
▸ HPGD P15428 1/20 0.47

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
SCHEMBL13188268 0.83 EGFR (0.51) PORCNALDH1A1GAA
SCHEMBL3717976 0.82 MCL1 (0.52) PORCNALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL29735406 0.81 ALDH1A1 (0.51) PORCNALDH1A1MAPTGAAKDM4E
SCHEMBL3712306 0.81 ALDH1A1 (0.51) PORCNALDH1A1MAPTGAAKDM4E
SCHEMBL15140688 0.80 PORCN (0.64) PORCNALDH1A1MAPTMEN1KMT2A
SCHEMBL30407873 0.80 CYP17A1 (0.55) PORCN
SCHEMBL30408014 0.80 PLAU (0.64) PORCNALDH1A1MAPTGAAKDM4E
SCHEMBL30407133 0.78 ALDH1A1 (0.72) PORCNALDH1A1MAPTMEN1KMT2A
SCHEMBL30800091 0.77 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ELMNATP53
SCHEMBL30408571 0.76 ALDH1A1 (0.51) PORCNALDH1A1MAPTMEN1KMT2A

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-2023064458-A1 SELECTIVE JAK2 INHIBITORS AND METHODS OF USE YALE UNIVERSITY (US) 2023-04-20 — — WO disclosed
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