SCHEMBL7516922

SCHEMBL7516922

O=C(OCc1ccccc1C(F)(F)F)N1CCN(Cc2cnc[nH]2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 6/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
F13A1 P00488 1/20 0.45
TGM2 P21980 1/20 0.45
TGM1 P22735 1/20 0.45
FNTA P49354 3/20 0.45
FNTB P49356 3/20 0.45
PGGT1B P53609 3/20 0.45
ALOX15 P16050 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 2/20 0.44
SRPK1 Q96SB4 1/20 0.43
POLB P06746 2/20 0.43
SCD O00767 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 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
SCHEMBL5536121 0.78 F13A1 (0.55) ALDH1A1KDM4EMEN1KMT2AF13A1
SCHEMBL8858915 0.77 F13A1 (0.54) ALDH1A1KDM4EMEN1KMT2AF13A1
SCHEMBL4681355 0.76 F13A1 (0.52) ALDH1A1KDM4EMEN1KMT2AF13A1
Hydrochloric Acid SCHEMBL4681749 0.75 F13A1 (0.51) ALDH1A1KDM4EMEN1KMT2AF13A1
SCHEMBL5536676 0.75 F13A1 (0.52) ALDH1A1KDM4EMEN1KMT2AF13A1
SCHEMBL5536669 0.75 F13A1 (0.49) ALDH1A1KDM4EMEN1KMT2AF13A1
SCHEMBL5540105 0.75 F13A1 (0.52) ALDH1A1KDM4EMEN1KMT2AF13A1
SCHEMBL5546135 0.74 F13A1 (0.51) ALDH1A1KDM4EMEN1KMT2AF13A1
SCHEMBL27610430 0.74 F13A1 (0.48) ALDH1A1KDM4EMEN1KMT2AF13A1
SCHEMBL5539625 0.73 F13A1 (0.50) ALDH1A1KDM4EMEN1KMT2AF13A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002540072-A 2002-11-26 JP claimed
EP-1165082-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 EP claimed
EP-1165082-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-01-02 EP claimed
WO-2000051611-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO claimed