SCHEMBL6981885

SCHEMBL6981885

O=C(O)CON=CCc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
CTBP2 P56545 1/20 0.39
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
FFAR1 O14842 1/20 0.38
ALOX5 P09917 1/20 0.37

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
SCHEMBL11406469 0.77 MEN1 (0.62) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL6981876 0.75 IDO1 (0.40) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL10901107 0.69
SCHEMBL10901100 0.69
SCHEMBL3860356 0.69 IDO1 (0.45) MEN1KMT2AMAPTALDH1A1CTBP2
SCHEMBL5898755 0.69 IDO1 (0.45) MEN1KMT2AMAPTALDH1A1CTBP2
SCHEMBL11199924 0.69 TDP1 (0.46) MEN1KMT2AMAPTALDH1A1PTGDR
SCHEMBL11199920 0.69 TDP1 (0.46) MEN1KMT2AMAPTALDH1A1PTGDR
SCHEMBL6983491 0.69 CYP2C19 (0.42) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL1759771 0.68 NR4A2 (0.50) ALDH1A1TDP1CYP1A2CYP3A4CYP2C9

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