SCHEMBL7746086

SCHEMBL7746086

O=C(O)C1Cc2ccccc2CN1O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CHEK1 O14757 1/20 0.51
JAK2 O60674 1/20 0.51
POLB P06746 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
MMP8 P22894 3/20 0.44
MMP3 P08254 2/20 0.44
MMP13 P45452 1/20 0.44

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
SCHEMBL2616891 0.81 ACE (0.50) ACEALDH1A1LMNACHEK1JAK2
SCHEMBL32676972 0.81 ACE (0.54) ACEALDH1A1LMNACHEK1JAK2
SCHEMBL30940344 0.81 ACE (0.50) ACEALDH1A1LMNACHEK1JAK2
SCHEMBL13971489 0.81 ACE (0.54) ACEALDH1A1LMNACHEK1JAK2
SCHEMBL3840630 0.81 ACE (0.61) ACEALDH1A1LMNACHEK1JAK2
SCHEMBL3154327 0.81 ACE (0.54) ACEALDH1A1LMNACHEK1JAK2
SCHEMBL2092090 0.81 ACE (0.54) ACEALDH1A1LMNACHEK1JAK2
SCHEMBL8908771 0.81 ACE (0.61) ACEALDH1A1LMNACHEK1JAK2
SCHEMBL4573235 0.81 ACE (0.61) ACEALDH1A1LMNACHEK1JAK2
SCHEMBL14337677 0.80 CHEK1 (0.58) ACEALDH1A1LMNACHEK1JAK2

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
EP-1045843-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP disclosed
EP-1045843-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP disclosed
US-5977134-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-11-02 US disclosed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed