SCHEMBL8795113

SCHEMBL8795113

CCOC(=O)c1[nH]c2cccc(Br)c2c1C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.48
TUBB4A P04350 3/20 0.48
TUBB P07437 3/20 0.48
TUBA3C P0DPH7 3/20 0.48
TUBA1B P68363 3/20 0.48
TUBA4A P68366 3/20 0.48
TUBB4B P68371 3/20 0.48
TUBB3 Q13509 3/20 0.48
TUBB2A Q13885 3/20 0.48
TUBB8 Q3ZCM7 3/20 0.48
TUBA3E Q6PEY2 3/20 0.48
TUBA1A Q71U36 3/20 0.48
TUBA1C Q9BQE3 3/20 0.48
TUBB6 Q9BUF5 3/20 0.48
TUBB2B Q9BVA1 3/20 0.48
TUBB1 Q9H4B7 3/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47

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
SCHEMBL24074529 0.87 KDM4E (0.48) MAP3K5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8794573 0.83 ALOX15 (0.51) MAP3K5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29954254 0.83 ALOX15 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8794978 0.82 KDM4E (0.62) MAP3K5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31485938 0.81 MAP3K5 (0.46) MAP3K5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2203134 0.81 GPR17 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8795641 0.81 MAPT (0.47) KDM4EMAPTALDH1A1HSD17B10ALOX15
SCHEMBL2205678 0.80 GPR17 (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11237854 0.77 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL3276393 0.77 TUBB4A (0.67) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5652239-A TREATMENT OF STROKES, ISCHEMIC ATTACK, ANTAGONISTS OF EXCITATORY AMINO ACIDS GLUTAMATE AND ASPARTATE IMPERIAL CHEMICAL COMPANY (GB) 1997-07-29 US disclosed
EP-0767782-A1 ARYL AND HETEROARYL ALKOXYNAPHTHALENE DERIVATIVES PFIZER INC. (US) 1997-04-16 EP disclosed
EP-0512817-B1 Pyridazinedione derivatives, their preparation and pharmaceutical applications ZENECA LTD (GB) 1997-02-19 EP disclosed
EP-0512817-A1 Pyridazinedione derivatives, their preparation and pharmaceutical applications ZENECA LIMITED (GB) 1992-11-11 EP disclosed