SCHEMBL7468690

SCHEMBL7468690

COC(=O)C(/C(=C\c1ccncc1)C(N)=O)=C(\C)c1cc(Cl)c(OC)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
BRD4 O60885 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
CYP2C8 P10632 1/20 0.39
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37

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
SCHEMBL7381849 1.00 ALDH1A1 (0.42) ALDH1A1HPGDMEN1KMT2ABRD4
SCHEMBL7372100 1.00 ALDH1A1 (0.42) ALDH1A1HPGDMEN1KMT2ABRD4
SCHEMBL7381622 0.92 ALDH1A1 (0.44) ALDH1A1HPGDMEN1KMT2ABRD4
SCHEMBL7467398 0.92 ALDH1A1 (0.44) ALDH1A1HPGDMEN1KMT2ABRD4
SCHEMBL7467391 0.92 ALDH1A1 (0.44) ALDH1A1HPGDMEN1KMT2ABRD4
SCHEMBL7462430 0.87 ALDH1A1 (0.39) ALDH1A1HPGDMEN1KMT2ABRD4
SCHEMBL7462441 0.87 ALDH1A1 (0.39) ALDH1A1HPGDMEN1KMT2ABRD4
SCHEMBL7464113 0.82 TNFRSF1A (0.48) ALDH1A1MEN1KMT2ATUBB4ATUBB
SCHEMBL7464347 0.82 TNFRSF1A (0.48) ALDH1A1MEN1KMT2ATUBB4ATUBB
SCHEMBL7464120 0.82 TNFRSF1A (0.48) ALDH1A1MEN1KMT2ATUBB4ATUBB

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-0889879-B1 BUTADIENE DERIVATIVES AND PROCESS FOR PREPARING THEREOF TANABE SEIYAKU CO (JP) 2002-06-12 EP disclosed
US-6248743-B1 ANTITHROMBOTIC AGENTS EFFECTIVE TO INHIBIT THE PRODUCTION OF TYPE 1 PLASMINOGEN ACTIVATOR INHIBITOR (PAI-1) TANABE SEIYAKU CO., LTD. (JP) 2001-06-19 US disclosed