SCHEMBL7053757

SCHEMBL7053757

CNC(=O)Nc1cc(-c2ccc(OC)c(OC)c2)sc1C(=O)NC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.62
IKBKB O14920 6/20 0.60
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46
TUBB2B Q9BVA1 1/20 0.46
TUBB1 Q9H4B7 1/20 0.46
HPGD P15428 4/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45

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
SCHEMBL7057485 0.86 IKBKB (0.63) PTPN1IKBKBHPGDKDM4EMAPT
SCHEMBL7057778 0.81 TUBB4A (0.65) PTPN1IKBKBTUBB4ATUBBTUBA3C
SCHEMBL7055165 0.81 CHEK1 (0.54) PTPN1IKBKBTUBB4ATUBBTUBA3C
SCHEMBL7051768 0.80 IKBKB (0.64) PTPN1IKBKBHPGDMAPTMAPK14
SCHEMBL7050948 0.78 IKBKB (0.80) PTPN1IKBKBHPGDKDM4EMAPT
SCHEMBL7056469 0.78 IKBKB (0.79) PTPN1IKBKBHPGDKDM4EMAPT
SCHEMBL6313193 0.77 PTPN1 (1.00) PTPN1IKBKBTUBB4ATUBBTUBA3C
SCHEMBL7052069 0.76 IKBKB (0.55) PTPN1IKBKBHPGDMEN1KMT2A
SCHEMBL7059399 0.76 PTPN1 (0.53) PTPN1IKBKBTUBB4ATUBBTUBA3C
SCHEMBL16404527 0.75 IKBKB (0.49) PTPN1IKBKBTUBB4ATUBBTUBA3C

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