SCHEMBL7057054

SCHEMBL7057054

COC(=O)c1sc(-c2ccsc2)cc1N

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.69
ALDH1A1 P00352 5/20 0.69
IKBKB O14920 4/20 0.69
HDAC6 Q9UBN7 1/20 0.69
KDM4E B2RXH2 9/20 0.64
NPC1 O15118 6/20 0.64
RAB9A P51151 5/20 0.64
CASP3 P42574 2/20 0.64
SENP8 Q96LD8 2/20 0.64
SENP7 Q9BQF6 2/20 0.64
SENP6 Q9GZR1 2/20 0.64
TUBB4A P04350 4/20 0.64
TUBB P07437 4/20 0.64
TUBA3C P0DPH7 4/20 0.64
TUBA1B P68363 4/20 0.64
TUBA4A P68366 4/20 0.64
TUBB4B P68371 4/20 0.64
TUBB3 Q13509 4/20 0.64
TUBB2A Q13885 4/20 0.64
TUBB8 Q3ZCM7 4/20 0.64

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
SCHEMBL7052936 0.83 IKBKB (0.69) MAPTALDH1A1IKBKBHDAC6KDM4E
SCHEMBL7055888 0.82 IKBKB (0.77) MAPTALDH1A1IKBKBHDAC6KDM4E
SCHEMBL4082097 0.82 IKBKB (1.00) MAPTALDH1A1IKBKBHDAC6KDM4E
SCHEMBL613186 0.81 MAPT (0.70) MAPTALDH1A1IKBKBKDM4ENPC1
SCHEMBL10070140 0.81 MAPT (0.78) MAPTALDH1A1IKBKBKDM4ENPC1
SCHEMBL431794 0.81 MAPT (0.74) MAPTALDH1A1IKBKBKDM4ENPC1
SCHEMBL5195941 0.79 KDM4E (0.76) MAPTALDH1A1IKBKBKDM4ENPC1
SCHEMBL5370617 0.79 MAPT (0.76) MAPTALDH1A1IKBKBKDM4ENPC1
Hydrochloric Acid SCHEMBL8864118 0.79 MAPT (0.72) MAPTALDH1A1IKBKBKDM4ENPC1
SCHEMBL1531346 0.78 MAPT (1.00) MAPTALDH1A1IKBKBKDM4ENPC1

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