SCHEMBL7465002

SCHEMBL7465002

COc1c(F)cc(F)cc1CC=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
TUBB1 Q9H4B7 4/20 0.36
IMPDH2 P12268 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
TSHR P16473 1/20 0.32
ERN1 O75460 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KRAS P01116 2/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRM2 P08172 1/20 0.32

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
SCHEMBL5275798 0.84 IMPDH2 (0.36) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL9886154 0.82 PTGS2 (0.42) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL5273699 0.82 KMT2A (0.38) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL21823537 0.82 ALDH1A1 (0.35) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL7494750 0.81 CYP3A4 (0.49) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL2467570 0.79 DBH (0.41) ALDH1A1TUBB1HTR2A
SCHEMBL1940273 0.77 MAPT (0.46) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL3488489 0.77 ALDH1A1 (0.35) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL18606046 0.77 HTR2A (0.41) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL1942011 0.77 ALDH1A1 (0.35) ALDH1A1MEN1POLBHPGDKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175400-A1 RENIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-30 EP disclosed
WO-2000064873-A1 RENIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-11-02 WO disclosed