SCHEMBL7521545

SCHEMBL7521545

O=C(O)C=Cc1cncn1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TBXAS1 P24557 3/20 0.43
PLA2G4A P47712 2/20 0.43
HCAR2 Q8TDS4 2/20 0.43
HDAC3 O15379 1/20 0.43
TNKS O95271 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
MEN1 O00255 1/20 0.41

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
SCHEMBL7521527 1.00 RAB9A (0.48) RAB9ANPC1SMN1; SMN2TBXAS1PLA2G4A
SCHEMBL4829309 0.88 LMNA (0.41) RAB9ANPC1SMN1; SMN2TBXAS1MEN1
SCHEMBL4829313 0.88 LMNA (0.41) RAB9ANPC1SMN1; SMN2TBXAS1MEN1
SCHEMBL7563960 0.78 ATM (0.53) RAB9ASMN1; SMN2NOS1
SCHEMBL8370307 0.74 TBXAS1 (0.41) RAB9ANPC1SMN1; SMN2TBXAS1HCAR2
SCHEMBL7605105 0.74 CYP11B1 (0.49) RAB9ANPC1SMN1; SMN2TBXAS1MEN1
SCHEMBL10414515 0.74 TBXAS1 (0.41) RAB9ANPC1SMN1; SMN2TBXAS1HCAR2
SCHEMBL7605101 0.74 CYP11B1 (0.49) RAB9ANPC1SMN1; SMN2TBXAS1MEN1
SCHEMBL5591568 0.73 TBXAS1 (0.43) RAB9ANPC1SMN1; SMN2TBXAS1HCAR2
SCHEMBL6570159 0.73 TBXAS1 (0.43) RAB9ANPC1SMN1; SMN2TBXAS1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734398-B1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2002-02-27 EP disclosed
US-5773512-A Compounds and methods SMITHKLINE BEECHAM CORP. (US) 1998-06-30 US disclosed
EP-0734398-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 1997-04-16 EP disclosed
EP-0734398-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1996-10-02 EP disclosed
WO-1995016712-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1995-06-22 WO disclosed