SCHEMBL8559372

SCHEMBL8559372

CN1Cc2cc(I)ccc2N(C)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.50
BRD2 P25440 1/20 0.50
BRD3 Q15059 1/20 0.50
CASP3 P42574 1/20 0.45
SRD5A1 P18405 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
XIAP P98170 1/20 0.34
BIRC2 Q13490 1/20 0.34
TDP2 O95551 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA6 Q16445 1/20 0.32
TRIM24 O15164 1/20 0.32

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
SCHEMBL5985150 0.81 BRD4 (0.51) BRD4BRD2BRD3SRD5A1SMN1; SMN2
SCHEMBL8141262 0.79 BRD4 (0.50) BRD4BRD2BRD3XIAPBIRC2
SCHEMBL29209001 0.79 BRD4 (0.53) BRD4BRD2BRD3CASP3SRD5A1
SCHEMBL12081005 0.79 BRD4 (0.50) BRD4BRD2BRD3
SCHEMBL30336256 0.79 BRD4 (0.53) BRD4BRD2BRD3CASP3SRD5A1
SCHEMBL16506973 0.75 TRIM24 (0.49) CASP3LMNATRIM24PKM
SCHEMBL3525035 0.74 BRD4 (0.47) BRD4BRD2BRD3SMN1; SMN2CREBBP
SCHEMBL8554279 0.74 CYP11B2 (0.51) BRD4CASP3SRD5A1PDE3BPDE3A
SCHEMBL6705947 0.72 CASP3 (0.49) CASP3SRD5A1PDE3BPDE3ATDP2
SCHEMBL1441245 0.71 CASP3 (0.43) CASP3SRD5A1PDE3BPDE3ATDP2

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-0623614-B1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1998-02-25 EP disclosed
CN-1121715-A 4-aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1996-05-01 CN disclosed
US-5512594-A ADMINISTERING TO TREAT A MEDICAL CONDITION MEDIATED BY ONE OR MORE LEUKOTRIENES ZENECA LIMITED (GB) 1996-04-30 US disclosed
US-5478842-A Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes ZENECA LIMITED (GB) 1995-12-26 US disclosed
WO-1994025453-A1 4-ARYL-4-HYDROXY-TETRAHYDROPYRANS AND 3-ARYL-3-HYDROXY-TETRAHYDROFURANS AS 5-LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1994-11-10 WO disclosed
EP-0623614-A1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-11-09 EP disclosed