SCHEMBL6983487

SCHEMBL6983487

CC(=O)ON=CCc1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
NPC1 O15118 10/20 0.40
RAB9A P51151 9/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
CYP2C19 P33261 2/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL15347875 1.00 POLB (0.41) POLBNPC1RAB9AL3MBTL1CYP2C19
SCHEMBL7878676 0.78 TAAR1 (0.38) POLBNPC1RAB9AL3MBTL1CYP2C19
SCHEMBL6983491 0.77 CYP2C19 (0.42) POLBNPC1RAB9ACYP2C19KMT2A
SCHEMBL9558609 0.76 HPGD (0.38) POLBNPC1RAB9AADRA2AADRA2B
SCHEMBL9558559 0.76 HPGD (0.38) POLBNPC1RAB9AADRA2AADRA2B
SCHEMBL9558342 0.74 SMN1; SMN2 (0.40) RAB9AL3MBTL1CYP2C19ADRA2AADRA2B
SCHEMBL19433080 0.73 ALDH1A1 (0.47) POLBALDH1A1GAA
SCHEMBL18840201 0.73 ALDH1A1 (0.47) POLBALDH1A1GAA
SCHEMBL13299214 0.73 NPC1 (0.50) POLBNPC1RAB9AL3MBTL1CYP2C19
SCHEMBL9744645 0.73 ALDH1A1 (0.38) POLBNPC1RAB9AADRA2AADRA2B

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