SCHEMBL11264090

SCHEMBL11264090

COc1ccc(C)cc1.O=C(CS)NO

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.53
MEN1 O00255 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
ACHE P22303 1/20 0.52
HDAC1 Q13547 5/20 0.51
HDAC8 Q9BY41 5/20 0.51
HDAC3 O15379 3/20 0.51
HDAC4 P56524 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC10 Q969S8 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL11264495 0.79 ACHE (0.56) ACHEHDAC1HDAC8HDAC3HDAC2
SCHEMBL11273798 0.79 GAA (0.50) KMT2AACHEHDAC1HDAC8HDAC3
SCHEMBL11272205 0.79 NPC1 (0.50) MEN1KMT2AHDAC1HDAC8HDAC3
SCHEMBL19474733 0.75 MEP1B (0.66)
SCHEMBL28703900 0.75 ACHE (0.68) MEN1HPGDKMT2AACHENPC1
SCHEMBL8243910 0.75 L3MBTL1 (0.69) MEN1HPGDKMT2AHDAC1HDAC8
Bicarbonate SCHEMBL722688 0.75 ACHE (0.75) MEN1HPGDKMT2AACHENPC1
Bicarbonate SCHEMBL2285222 0.75 ACHE (0.75) MEN1HPGDKMT2AACHENPC1
Methyl Carbamate SCHEMBL28653549 0.74 ACHE (0.65) MEN1HPGDKMT2AACHENPC1
4-Nitrotoluene SCHEMBL11265976 0.73 ACHE (0.58) MMP1MEN1KMT2AACHEHDAC1

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
US-4325964-A SEDATIVES, MUSCLE RELAXANTS, HYPOTENSIVE AGENTS LABORATOIRE L. LAFON (FR) 1982-04-20 US claimed
US-4325964-A SEDATIVES, MUSCLE RELAXANTS, HYPOTENSIVE AGENTS LABORATOIRE L. LAFON (FR) 1982-04-20 US disclosed