SCHEMBL4015175

SCHEMBL4015175

O=C(CN(Cc1ccccn1)Cc1ccccn1)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
LIN28A Q9H9Z2 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
FKBP1A P62942 3/20 0.45
GRM5 P41594 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL19889199 0.94 MAPT (0.54) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL1313679 0.80 FKBP1A (0.62) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL19889201 0.79 TDP1 (0.54) ALDH1A1KDM4EHSD17B10MAPTSMN1; SMN2
SCHEMBL18292117 0.75 FKBP1A (0.50) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL28308417 0.74 MAPT (0.58) ALDH1A1KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL16294097 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10KMT2ARAB9A
SCHEMBL1066335 0.74 SMN1; SMN2 (0.61) ALDH1A1MAPTSMN1; SMN2TDP1LIN28A
SCHEMBL1313160 0.73 SMN1; SMN2 (0.56) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL16626904 0.72 SMN1; SMN2 (0.59) MAPTSMN1; SMN2TDP1LIN28AKMT2A
SCHEMBL16626907 0.72 SMN1; SMN2 (0.59) ALDH1A1MAPTSMN1; SMN2TDP1LIN28A

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
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