SCHEMBL27688093

SCHEMBL27688093

COC(=O)c1ccc(N(C)O[SH](=O)=O)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41
▸ TUBB4B P68371 1/20 0.41
▸ TUBB3 Q13509 1/20 0.41
▸ TUBB2A Q13885 1/20 0.41
▸ TUBB8 Q3ZCM7 1/20 0.41
▸ TUBA3E Q6PEY2 1/20 0.41
▸ TUBA1A Q71U36 1/20 0.41
▸ TUBA1C Q9BQE3 1/20 0.41
▸ TUBB6 Q9BUF5 1/20 0.41
▸ TUBB2B Q9BVA1 1/20 0.41
▸ TUBB1 Q9H4B7 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ NQO2 P16083 2/20 0.40
▸ PDK2 Q15119 2/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37

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
SCHEMBL27707339 0.84 ABL1 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1110874 0.82 NQO2 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27968758 0.81 CA12 (0.53) PDK2CA12CA1CA2CA7
SCHEMBL27413839 0.79 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1020557 0.75 KMT2A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5743562 0.75 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28143850 0.74 LOXL2 (0.45) CA12CA1CA2CA7CA9
SCHEMBL7689229 0.74 RAB9A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28225779 0.73 XDH (0.41) ABL1ALDH1A1GAAKDM4EGLA
SCHEMBL27396814 0.72 NR4A2 (0.41) ABL1PDK2CA12CA1CA2

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
CN-101072755-A Pyridyl inhibitors of Hedgehog signaling GENENTECH INC (US) 2007-11-14 — — CN disclosed
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