SCHEMBL4015185

SCHEMBL4015185

O=C(CCc1ccccc1)OCCN(Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.57
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LIN28A Q9H9Z2 1/20 0.51
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
APP P05067 1/20 0.45

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
SCHEMBL4005562 0.87 SMN1; SMN2 (0.54) TDP1MAPTSMN1; SMN2LIN28AHDAC3
SCHEMBL4010249 0.79 SMN1; SMN2 (0.57) TDP1MAPTSMN1; SMN2LIN28AHDAC3
SCHEMBL28826273 0.79 SMN1; SMN2 (0.60) TDP1MAPTSMN1; SMN2LIN28AHDAC3
SCHEMBL4008815 0.79 SMN1; SMN2 (0.60) TDP1MAPTSMN1; SMN2LIN28AHDAC3
SCHEMBL11532136 0.78 TDP1 (0.55) TDP1SMN1; SMN2HPGDALOX15CYP1A2
SCHEMBL16488388 0.77 TDP1 (0.70) TDP1APPALOX5ALDH1A1KDM4E
SCHEMBL4015320 0.77 ALDH1A1 (0.57) TDP1MAPTSMN1; SMN2LIN28AHPGD
SCHEMBL4016056 0.76 SMN1; SMN2 (0.57) TDP1MAPTSMN1; SMN2LIN28ACYP1A2
SCHEMBL22749407 0.76 SMN1; SMN2 (0.60) TDP1MAPTSMN1; SMN2LIN28AHPGD
SCHEMBL28182817 0.76 TDP1 (1.00) TDP1MAPTHDAC2HDAC8HDAC6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009084737-A1 COMPOUND HAVING ACTIVITY TO SUPPRESS DEGRANULATION AND CYTOKINE PRODUCTION AND USE THEREOF INTERPROTEIN CORPORATION (JP) 2009-07-09 WO claimed
WO-2009084737-A1 COMPOUND HAVING ACTIVITY TO SUPPRESS DEGRANULATION AND CYTOKINE PRODUCTION AND USE THEREOF INTERPROTEIN CORPORATION (JP) 2009-07-09 WO disclosed
WO-2009084737-A1 COMPOUND HAVING ACTIVITY TO SUPPRESS DEGRANULATION AND CYTOKINE PRODUCTION AND USE THEREOF INTERPROTEIN CORPORATION (JP) 2009-07-09 WO disclosed