SCHEMBL17366133

SCHEMBL17366133

COc1ccc(C2CC(c3cc(O)c(OC)c(OC)c3)=NO2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.47
TUBB P07437 4/20 0.47
TUBA3C P0DPH7 4/20 0.47
TUBA1B P68363 4/20 0.47
TUBA4A P68366 4/20 0.47
TUBB4B P68371 4/20 0.47
TUBB3 Q13509 4/20 0.47
TUBB2A Q13885 4/20 0.47
TUBB8 Q3ZCM7 4/20 0.47
TUBA3E Q6PEY2 4/20 0.47
TUBA1A Q71U36 4/20 0.47
TUBA1C Q9BQE3 4/20 0.47
TUBB6 Q9BUF5 4/20 0.47
TUBB2B Q9BVA1 4/20 0.47
TUBB1 Q9H4B7 4/20 0.47
MAPT P10636 3/20 0.46
HSD17B10 Q99714 1/20 0.46
USP2 O75604 1/20 0.46
PTPN1 P18031 2/20 0.46
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL5686355 0.95 TUBB4A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5689279 0.86 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13660015 0.86 MIF (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15460411 0.85 PTPN1 (0.45) MAPTHSD17B10PTPN1ALDH1A1MIF
SCHEMBL15463035 0.82 MAPT (0.48) MAPTHSD17B10USP2PTPN1ALDH1A1
SCHEMBL13643398 0.81 PTPN1 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13362374 0.79 USP2 (0.53) MAPTHSD17B10USP2PTPN1ALDH1A1
SCHEMBL13644528 0.79 USP2 (0.53) MAPTHSD17B10USP2PTPN1ALDH1A1
SCHEMBL1015152 0.79 MIF (0.57) MAPTHSD17B10USP2PTPN1ALDH1A1
SCHEMBL12687453 0.78 S1PR1 (0.48) MAPTHSD17B10USP2PTPN1ALDH1A1

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-2670740-B1 AMIDOBENZOTHIAZOLES AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2015-12-30 EP disclosed