SCHEMBL5229048

SCHEMBL5229048

COC(=O)Oc1cc2cc(Br)ccc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
RAB9A P51151 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DYRK1A Q13627 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CLK1 P49759 3/20 0.43
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CUL4A Q13619 1/20 0.39
NCEH1 Q6PIU2 2/20 0.39
PPARA Q07869 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 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
SCHEMBL5201465 0.88 RAB9A (0.46) LMNARAB9ADYRK1AL3MBTL1NPC1
SCHEMBL5239202 0.83 CYP2A6 (0.50) LMNARAB9AMEN1KMT2ADYRK1A
SCHEMBL5163126 0.82 LMNA (0.50) LMNARAB9AMEN1KMT2ADYRK1A
SCHEMBL5234051 0.81 DYRK1A (0.44) LMNARAB9AMEN1KMT2ADYRK1A
SCHEMBL5198179 0.79 HDAC3 (0.49) LMNARAB9ADYRK1ACYP1A2HDAC6
SCHEMBL3478352 0.78 HSP90AA1 (0.49) LMNARAB9AMEN1KMT2ADYRK1A
SCHEMBL5235708 0.78 DYRK1A (0.48) MEN1KMT2ADYRK1ACLK1CYP1A2
SCHEMBL5179222 0.78 DYRK1A (0.45) DYRK1ACLK1NCEH1PPARA
SCHEMBL5231561 0.77 SMN1; SMN2 (0.62) LMNARAB9AMEN1KMT2ADYRK1A
SCHEMBL256555 0.76 LMNA (0.63) LMNARAB9AMEN1KMT2ADYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461335-B1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed
EP-1515967-B1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2006-11-02 EP disclosed
EP-1515967-A1 2-HETEROARYL CARBOXAMIDES Bayer HealthCare AG (DE) 2005-03-23 EP disclosed
EP-1461335-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES Bayer HealthCare AG (DE) 2004-09-29 EP disclosed
WO-2003104227-A1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2003-12-18 WO disclosed
WO-2003055878-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2003-07-10 WO disclosed