SCHEMBL6981876

SCHEMBL6981876

CC(=O)ON=CCc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.40
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.38
CTBP2 P56545 1/20 0.37
AGXT P21549 1/20 0.36

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
SCHEMBL19433080 0.83 ALDH1A1 (0.47) MAOBALDH1A1LMNAMAPTKDM4E
SCHEMBL18840201 0.83 ALDH1A1 (0.47) MAOBALDH1A1LMNAMAPTKDM4E
SCHEMBL6981885 0.75 MEN1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL11406474 0.74 MIF (0.49) MAOBMEN1KMT2AALDH1A1MAPT
SCHEMBL2044977 0.71 ALDH1A1 (0.32) ALDH1A1LMNAMAPTKDM4E
SCHEMBL2044976 0.71 ALDH1A1 (0.32) ALDH1A1LMNAMAPTKDM4E
SCHEMBL3860356 0.70 IDO1 (0.45) IDO1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5898755 0.70 IDO1 (0.45) IDO1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9900604 0.70 THRB (0.37) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL15347875 0.68 POLB (0.41) MEN1KMT2AALDH1A1SMN1; SMN2NPC1

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-0991643-B1 NOVEL AMINOOXYAMIDE TRICYCLIC INHIBITORS OF FARNESYLPROTEIN TRANSFERASE SCHERING CORP (US) 2003-04-02 EP disclosed
EP-0991643-A1 NOVEL AMINOOXYAMIDE TRICYCLIC INHIBITORS OF FARNESYLPROTEIN TRANSFERASE SCHERING CORPORATION (US) 2000-04-12 EP disclosed
US-5945430-A BENZO(5,6)CYCLOHEPTAPYRIDINE COMPOUNDS THAT INHIBIT RAS FUNCTION, USE FOR TREATING TUMOR CELLS EXPRESSING AN ACTIVATED RAS ONCOGENE IN MAMMALS SCHERING CORPORATION (US) 1999-08-31 US disclosed
WO-1998057965-A1 NOVEL AMINOOXYAMIDE TRICYCLIC INHIBITORS OF FARNESYLPROTEIN TRANSFERASE SCHERING CORPORATION (US) 1998-12-23 WO disclosed