SCHEMBL8562960

SCHEMBL8562960

COc1ccc2[nH][c]nc2c1Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 5/20 0.37
TUBB P07437 5/20 0.37
TUBA3C P0DPH7 5/20 0.37
TUBA1B P68363 5/20 0.37
TUBA4A P68366 5/20 0.37
TUBB4B P68371 5/20 0.37
TUBB3 Q13509 5/20 0.37
TUBB2A Q13885 5/20 0.37
TUBB8 Q3ZCM7 5/20 0.37
TUBA3E Q6PEY2 5/20 0.37
TUBA1A Q71U36 5/20 0.37
TUBA1C Q9BQE3 5/20 0.37
TUBB6 Q9BUF5 5/20 0.37
TUBB2B Q9BVA1 5/20 0.37
TUBB1 Q9H4B7 5/20 0.37
HTT P42858 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL8558658 0.78 CCNB2 (0.37) KDM4EALDH1A1GAAKMT2ACCNB2
SCHEMBL27917762 0.76 PDE4A (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10833235 0.72 KDM4E (0.36) HTTKDM4EALDH1A1PDE3BPDE3A
SCHEMBL6883568 0.72 CCNB2 (0.34) KDM4EPOLBGAAKMT2ACCNB2
SCHEMBL557929 0.71 KEAP1 (0.44) ALDH1A1POLBPDE3BPDE3ALMNA
SCHEMBL433019 0.70 CYP3A4 (0.42) HTTKDM4EALDH1A1GAAKMT2A
SCHEMBL3728677 0.69 LTA4H (0.52) HTTKDM4EALDH1A1POLBGAA
SCHEMBL8566928 0.69 NQO2 (0.30)
SCHEMBL8859957 0.69 LTA4H (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8814960 0.69 PARP1 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821675-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-02-04 EP disclosed
WO-1996033176-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-24 WO disclosed