SCHEMBL8548975

SCHEMBL8548975

COc1ccc2c(CCc3nn[nH]n3)c(C(=O)c3ccc(Cl)cc3)oc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.43
KDM4E B2RXH2 11/20 0.43
HPGD P15428 9/20 0.43
HSD17B10 Q99714 5/20 0.43
NPSR1 Q6W5P4 4/20 0.43
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

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
SCHEMBL8549320 0.79 MAPT (0.46) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL8545930 0.69 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL679245 0.68 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL8546281 0.68 MAPT (0.58) ALDH1A1KDM4EHPGDHSD17B10TUBB4A
SCHEMBL8548674 0.68 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL27445439 0.68 SMN1; SMN2 (0.43) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL12013388 0.66 HTT (0.47) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL9070589 0.65 CA12 (0.43) ALDH1A1KDM4EHPGDNPSR1SMN1; SMN2
SCHEMBL4437800 0.65 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL5964314 0.65 HTT (0.46) ALDH1A1KDM4EHPGDNPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623607-B1 Benzofuranyl-and-thiophenyl-alkanecarboxyclic acid derivatives BAYER AG (DE) 1998-07-15 EP disclosed
US-5504213-A ANTIINFLAMMATORY AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-04-02 US disclosed
EP-0623607-A1 Benzofuranyl-and-thiophenyl-alkanecarboxyclic acid derivatives BAYER AG (DE) 1994-11-09 EP disclosed