SCHEMBL22004261

SCHEMBL22004261

NC(=O)c1ccc(-c2ccc(C3C=CC=CC3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MKNK1 Q9BUB5 9/20 0.38
MKNK2 Q9HBH9 9/20 0.38
CYP17A1 P05093 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAP4K4 O95819 2/20 0.36
ERN1 O75460 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PARP10 Q53GL7 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
PARP15 Q460N3 1/20 0.34
PARP14 Q460N5 1/20 0.34

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
SCHEMBL13211931 0.80 TSHR (0.43) CA12CA1CA2CA9CA14
SCHEMBL23022708 0.78 CYP3A4 (0.41) CA12CA1CA2CA9CA14
SCHEMBL27704602 0.76 KDM1A (0.41) ALDH1A1
SCHEMBL20275091 0.75 NPC1 (0.46) CA12CA1CA2CA9CA14
SCHEMBL18433603 0.75
SCHEMBL7937327 0.73 KMT2A (0.40) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL23447069 0.72 MEN1 (0.33) KMT2A
SCHEMBL8287019 0.72 ESR2 (0.36) CA12CA1CA2CA9CA14
SCHEMBL12993026 0.72 MEN1 (0.33) KMT2A
SCHEMBL23161981 0.72 MEN1 (0.33) KMT2A

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
EP-3653575-A1 SURFACE-MODIFIED INORGANIC NITRIDE, COMPOSITION, THERMALLY CONDUCTIVE MATERIAL, DEVICE PROVIDED WITH THERMALLY CONDUCTIVE LAYER FUJIFILM Corporation (JP) 2020-05-20 EP disclosed