SCHEMBL4015320

SCHEMBL4015320

O=C(OCCN(Cc1ccccn1)Cc1ccccn1)c1ccco1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 1/20 0.50
LIN28A Q9H9Z2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 3/20 0.45
PKM P14618 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL5344056 0.81 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL4010249 0.81 SMN1; SMN2 (0.57) SMN1; SMN2MAPTLIN28ATDP1LMNA
SCHEMBL4014798 0.79 TDP1 (0.54) ALDH1A1L3MBTL1SMN1; SMN2MAPTLIN28A
SCHEMBL4005562 0.79 SMN1; SMN2 (0.54) ALDH1A1L3MBTL1SMN1; SMN2MAPTLIN28A
SCHEMBL28826273 0.78 SMN1; SMN2 (0.60) SMN1; SMN2MAPTLIN28ATDP1LMNA
SCHEMBL4008815 0.78 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL4015185 0.77 TDP1 (0.57) ALDH1A1L3MBTL1SMN1; SMN2MAPTLIN28A
SCHEMBL362970 0.76 ALDH1A1 (0.60) ALDH1A1MAPTLMNAHTTTSHR
SCHEMBL4016056 0.76 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL27215944 0.74 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2MAPTLIN28ATDP1

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