SCHEMBL7803314

SCHEMBL7803314

COc1cc(/C=C/c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc(OC)c1OC.COc1ccc(/C=C/c2nc(C(Br)(Br)Br)nc(C(Br)(Br)Br)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 12/20 0.60
TUBB P07437 12/20 0.60
TUBA3C P0DPH7 12/20 0.60
TUBA1B P68363 12/20 0.60
TUBA4A P68366 12/20 0.60
TUBB4B P68371 12/20 0.60
TUBB3 Q13509 12/20 0.60
TUBB2A Q13885 12/20 0.60
TUBB8 Q3ZCM7 12/20 0.60
TUBA3E Q6PEY2 12/20 0.60
TUBA1A Q71U36 12/20 0.60
TUBA1C Q9BQE3 12/20 0.60
TUBB6 Q9BUF5 12/20 0.60
TUBB2B Q9BVA1 12/20 0.60
TUBB1 Q9H4B7 12/20 0.60
CYP1A1 P04798 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP1B1 Q16678 2/20 0.46
CYP19A1 P11511 1/20 0.46
NQO2 P16083 1/20 0.46

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
SCHEMBL7803315 1.00 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL147173 0.86 CYP1A1 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3855061 0.86 CYP1A1 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3855064 0.86 CYP1A1 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL147174 0.86 CYP1A1 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL51497 0.85 CYP1A2 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL51498 0.85 CYP1A2 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21940412 0.85 CYP1A2 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrogen Sulfide SCHEMBL30503988 0.84 CYP1A2 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1048204 0.83 CYP1A2 (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1127900-A1 Polymer and photoresist compositions Shipley Company LLC (US) 2001-08-29 EP disclosed