SCHEMBL6922692

SCHEMBL6922692

COC(OC)c1cccc(C(=O)Nc2ccc(F)cc2Cl)n1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 11/20 0.50
GRM4 Q14833 2/20 0.48
MAPT P10636 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7065300 0.81 MAPT (0.69) GRM4MAPTLMNATP53MEN1
SCHEMBL6828985 0.81 SMN1; SMN2 (0.51) GRM4MAPTCA1CA2TP53
SCHEMBL7193667 0.78 KMT2A (0.55) MAPTMEN1KMT2A
SCHEMBL6829211 0.77 GRM4 (0.56) ALOX15GRM4MAPTLMNATP53
SCHEMBL6829771 0.76 NPC1 (0.50) MAPTLMNAMEN1KMT2A
SCHEMBL6829063 0.76 MEN1 (0.60) MAPTLMNATP53MEN1KMT2A
SCHEMBL6829196 0.75 GAA (0.57) GRM4MAPTLMNATP53MEN1
SCHEMBL6829504 0.73 SMN1; SMN2 (0.55) GRM4MAPTLMNATP53MEN1
SCHEMBL20138986 0.72 HPGD (0.47) ALOX15GRM4MAPTKMT2A
SCHEMBL20138984 0.72 HPGD (0.47) ALOX15GRM4MAPTKMT2A

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-2004037808-A1 2 - SUBSTITUTED HETEROCYCLIC COMPOUNDS AND ANTITUMOR COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2004-05-06 WO disclosed