SCHEMBL10313764

SCHEMBL10313764

C=C(N)C(=O)c1cc2ccccc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.61
SLC9A1 P19634 2/20 0.59
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
DYRK1A Q13627 1/20 0.50
HRH4 Q9H3N8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TMIGD3 P0DMS9 1/20 0.46
ADORA1 P30542 1/20 0.46

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
SCHEMBL8958420 0.86 BCL2L1 (0.65) BCL2L1SLC9A1HDAC3HDAC4HDAC1
SCHEMBL7209477 0.85 BCL2L1 (0.74) BCL2L1SLC9A1HDAC3HDAC4HDAC1
SCHEMBL4070224 0.83 BCL2L1 (0.61) BCL2L1SLC9A1HDAC3HDAC4HDAC1
SCHEMBL29366392 0.82 BCL2L1 (0.69) BCL2L1SLC9A1HDAC3HDAC4HDAC1
SCHEMBL347544 0.82 BCL2L1 (0.69) BCL2L1SLC9A1HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL2196804 0.80 BCL2L1 (0.67) BCL2L1SLC9A1HDAC3HDAC4HDAC1
SCHEMBL7639982 0.80 BCL2L1 (0.72) BCL2L1SLC9A1HDAC3HDAC4HDAC1
SCHEMBL5418360 0.78 BCL2L1 (0.69) BCL2L1SLC9A1HDAC3HDAC4HDAC1
SCHEMBL31356465 0.77 BCL2L1 (0.74) BCL2L1SLC9A1HDAC3HDAC4HDAC1
SCHEMBL1535950 0.77 BCL2L1 (0.62) BCL2L1SLC9A1HDAC3HDAC4HDAC1

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
EP-2471786-A1 AMINOPYRAZOLE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-07-04 EP disclosed