SCHEMBL7057778

SCHEMBL7057778

CNC(=O)c1sc(-c2ccc(OC)c(OC)c2)cc1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 7/20 0.65
TUBB P07437 7/20 0.65
TUBA3C P0DPH7 7/20 0.65
TUBA1B P68363 7/20 0.65
TUBA4A P68366 7/20 0.65
TUBB4B P68371 7/20 0.65
TUBB3 Q13509 7/20 0.65
TUBB2A Q13885 7/20 0.65
TUBB8 Q3ZCM7 7/20 0.65
TUBA3E Q6PEY2 7/20 0.65
TUBA1A Q71U36 7/20 0.65
TUBA1C Q9BQE3 7/20 0.65
TUBB6 Q9BUF5 7/20 0.65
TUBB2B Q9BVA1 7/20 0.65
TUBB1 Q9H4B7 7/20 0.65
IKBKB O14920 5/20 0.56
MAPT P10636 6/20 0.54
RXFP1 Q9HBX9 1/20 0.54
PTPN1 P18031 1/20 0.53
KDM4E B2RXH2 4/20 0.50

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
SCHEMBL7055446 0.85 IKBKB (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7053757 0.81 PTPN1 (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7052936 0.74 IKBKB (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7055593 0.74 MAPT (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7055165 0.73 CHEK1 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10052108 0.72 IKBKB (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4097204 0.72 IKBKB (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL19029351 0.71 HDAC6 (0.83) HDAC6
SCHEMBL5195941 0.71 KDM4E (0.76) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7056469 0.70 IKBKB (0.79) IKBKBMAPTPTPN1KDM4ENPC1

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-2003028731-A1 CHK1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-10 WO disclosed