SCHEMBL12488274

SCHEMBL12488274

CCC(=O)CCCCCC(NC(=O)CN(C)C)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
HDAC1 Q13547 12/20 0.46
GAA P10253 1/20 0.45
HDAC2 Q92769 3/20 0.44
HDAC4 P56524 5/20 0.44
MEF2D Q14814 2/20 0.44
HDAC3 O15379 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL5121060 1.00 RAB9A (0.48) RAB9ASMN1; SMN2NPC1LMNAHDAC1
SCHEMBL5127198 0.88 NPC1 (0.49) RAB9ASMN1; SMN2NPC1LMNAHDAC1
SCHEMBL5127972 0.87 RAB9A (0.49) RAB9ASMN1; SMN2NPC1LMNAHDAC1
SCHEMBL5124578 0.87 HDAC1 (0.50) RAB9ASMN1; SMN2NPC1LMNAHDAC1
SCHEMBL5121771 0.85 RAB9A (0.47) RAB9ASMN1; SMN2NPC1LMNAHDAC1
SCHEMBL5118072 0.85 RAB9A (0.47) RAB9ASMN1; SMN2NPC1LMNAHDAC1
SCHEMBL5117693 0.84 HDAC1 (0.53) RAB9ASMN1; SMN2NPC1LMNAHDAC1
SCHEMBL5118978 0.84 ALDH1A1 (0.49) HDAC1HDAC2HDAC4MEF2DHDAC3
SCHEMBL5139663 0.84 ALDH1A1 (0.49) HDAC1HDAC2HDAC4MEF2DHDAC3
SCHEMBL5191095 0.83 HSD17B10 (0.48) HDAC1HDAC2HDAC4MEF2DHDAC3

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
EP-2683371-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS Cereno Scientific AB (SE) 2014-01-15 EP disclosed
WO-2012120262-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS LARSSON PIA (SE) 2012-09-13 WO disclosed