SCHEMBL7092582

SCHEMBL7092582

Cc1cc(C)cc(N=CC=O)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ERN1 O75460 1/20 0.33
BLM P54132 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 2/20 0.32
TPMT P51580 1/20 0.31

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
SCHEMBL4740358 0.85 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL5679214 0.82 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL7094248 0.79 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL7091916 0.76 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EMEN1POLB
SCHEMBL28518907 0.73 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EHSP90AA1ERN1
SCHEMBL16659632 0.72 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL10153371 0.71 TSHR (0.38) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL7094845 0.71 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL13590027 0.71 S100B (0.50) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL27965052 0.70 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EMEN1LMNA

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-2003084662-A2 COVALENTLY FIXED LIGAND SYSTEMS, NON-METALLOCENE SYSTEMS AND CATALYST SYSTEMS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF FOR POLYMERIZING OLEFINS CELANESE VENTURES GMBH (DE) 2003-10-16 WO disclosed