SCHEMBL8548828

SCHEMBL8548828

COc1c(C=CC(=O)NCc2ccccc2)c(=O)c2ccc(Cl)cc2[nH]c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 10/20 0.62
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
IMPDH2 P12268 1/20 0.41
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 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
SCHEMBL8548447 1.00 ALOX15 (0.62) ALOX15TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8722402 0.86 GPR17 (0.49) ALOX15MMP1MMP2MMP9
SCHEMBL8549040 0.86 GPR17 (0.49) ALOX15MMP1MMP2MMP9
SCHEMBL8544261 0.83 TUBB4A (0.43) ALOX15TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8544259 0.83 TUBB4A (0.43) ALOX15TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8544547 0.82 ALOX15 (0.41) ALOX15TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8930074 0.79 LPAR1 (0.46) ALOX15TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8548709 0.79 LPAR1 (0.46) ALOX15TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8722371 0.79 PTGS2 (0.42) ALOX15TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8548867 0.79 PTGS2 (0.42) ALOX15TUBB4ATUBBTUBA3CTUBA1B

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
US-5656626-A NERVOUS SYSTEM OR BRAIN DISORDERS; BENZ(B)AZEPINE ZENECA LIMITED (GB) 1997-08-12 US claimed
EP-0702673-A1 BENZ(B)AZEPINE-2,5-DIONES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS ZENECA LIMITED (GB) 1996-03-27 EP claimed
WO-1994029275-A1 BENZ(B)AZEPINE-2,5-DIONES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS ZENECA LIMITED (GB) 1994-12-22 WO claimed
EP-0702673-B1 BENZ(B)AZEPINE-2,5-DIONES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS ZENECA LTD (GB) 1998-02-25 EP disclosed