SCHEMBL6983491

SCHEMBL6983491

O=C(O)CON=CCc1cccs1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
POLB P06746 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 5/20 0.40
NPC1 O15118 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
TRPM8 Q7Z2W7 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
SCHEMBL9558609 0.78 HPGD (0.38) POLBTDP1HPGDNPC1KMT2A
SCHEMBL9558559 0.78 HPGD (0.38) POLBTDP1HPGDNPC1KMT2A
SCHEMBL15347875 0.77 POLB (0.41) CYP2C19POLBHPGDNPC1KMT2A
SCHEMBL6983487 0.77 POLB (0.41) CYP2C19POLBHPGDNPC1KMT2A
SCHEMBL9744645 0.75 ALDH1A1 (0.38) POLBHPGDNPC1KMT2AMEN1
SCHEMBL7878676 0.74 TAAR1 (0.38) CYP2C19POLBTDP1NPC1ALDH1A1
SCHEMBL9557896 0.73 ALDH1A1 (0.45) CYP2C19POLBTDP1HPGDNPC1
SCHEMBL14938536 0.72 ALDH1A1 (0.48) CYP2C19POLBHPGDNPC1KMT2A
SCHEMBL9038549 0.71
SCHEMBL9038543 0.71

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