SCHEMBL7809506

SCHEMBL7809506

COC(=O)C(c1c[nH]cn1)C(Cc1ccccc1)(Cc1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
RECQL P46063 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
MMP2 P08253 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
PTPN1 P18031 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.33
MDM4 O15151 1/20 0.33
MDM2 Q00987 1/20 0.33
MMP8 P22894 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL7081435 0.83 KMT2A (0.37) MEN1KMT2AALDH1A1LMNAMDM4
SCHEMBL8865805 0.75 ESR1 (0.43) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL27267323 0.71 KMT2A (0.47) TSHRCYP1A2MEN1KMT2AALDH1A1
SCHEMBL8455538 0.69 ALDH1A1 (0.43) MAPK1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL7713127 0.68 CHRM3 (0.36) RECQLCYP1A2CYP3A4MEN1KMT2A
SCHEMBL31139078 0.68 TRPM8 (0.46) CYP3A4MEN1KMT2AALDH1A1LMNA
SCHEMBL23038201 0.68 ATM (0.50) ATMPOLB
SCHEMBL7169530 0.67 HCAR2 (0.43) TSHRCYP3A4MAPK1MMP2ALDH1A1
SCHEMBL8156288 0.67 MAOB (0.39) L3MBTL1TDP1GAA
SCHEMBL2477673 0.66 PTGS1 (0.33) KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891352-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
US-5869682-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-02-09 US disclosed
EP-0891352-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
EP-0837875-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1998-10-07 EP disclosed
EP-0837875-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-04-29 EP disclosed
WO-1997036891-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERK & CO., INC. (US) 1997-10-09 WO disclosed
WO-1996034010-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-31 WO disclosed