SCHEMBL14387458

SCHEMBL14387458

COc1ccc2c(C(=O)c3cc(OC)c(CO)c(OC)c3)n[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 7/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TUBB4A P04350 4/20 0.43
TUBB P07437 4/20 0.43
TUBA3C P0DPH7 4/20 0.43
TUBA1B P68363 4/20 0.43
TUBA4A P68366 4/20 0.43
TUBB4B P68371 4/20 0.43
TUBB3 Q13509 4/20 0.43
TUBB2A Q13885 4/20 0.43
TUBB8 Q3ZCM7 4/20 0.43
TUBA3E Q6PEY2 4/20 0.43
TUBA1A Q71U36 4/20 0.43
TUBA1C Q9BQE3 4/20 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
SCHEMBL14387572 0.90 TUBB1 (0.46) TUBB1NPC1RAB9ACASP3SENP8
SCHEMBL13931749 0.87 TUBB1 (0.61) TUBB1NPC1RAB9ACASP3SENP8
SCHEMBL14001681 0.87 TUBB1 (0.52) TUBB1NPC1RAB9ACASP3SENP8
SCHEMBL14387460 0.84 TUBB1 (0.49) TUBB1NPC1RAB9ACASP3SENP8
SCHEMBL10073867 0.83 SMN1; SMN2 (0.45) TUBB1NPC1RAB9ACASP3SENP8
SCHEMBL10073863 0.80 CYP1A2 (0.50) TUBB1NPC1RAB9ACASP3SENP8
SCHEMBL13844083 0.80 DYRK1A (0.43) TUBB1NPC1RAB9ACASP3SENP8
SCHEMBL13931888 0.77 TUBB1 (0.57) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13844093 0.76 PRKAG1 (0.40) TUBB1NPC1RAB9ACASP3SENP8
SCHEMBL18554248 0.76 BCHE (0.56) TUBB1NPC1RAB9ACASP3SENP8

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
WO-2007137196-A2 TUBULIN BINDING ANTI CANCER COMPOUNDS AND PRODRUGS THEREOF THRESHOLD PHARMACEUTICALS, INC. (US) 2007-11-29 WO disclosed