SCHEMBL13602008

SCHEMBL13602008

CC(=O)OCCN1C=C/C(=C/C=Cc2sc3ccccc3[n+]2C)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.37
ADRB1 P08588 2/20 0.37
RAB9A P51151 7/20 0.35
NPC1 O15118 6/20 0.35
USP2 O75604 2/20 0.35
MTOR P42345 1/20 0.35
MAPT P10636 7/20 0.35
HTT P42858 6/20 0.35
NPSR1 Q6W5P4 5/20 0.35
MAPK1 P28482 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
POLB P06746 3/20 0.35
NSD2 O96028 1/20 0.35
MEN1 O00255 9/20 0.35
KMT2A Q03164 9/20 0.35
THRB P10828 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
INSR P06213 1/20 0.34
BLM P54132 4/20 0.34

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
SCHEMBL12733759 1.00 ADRB2 (0.37) ADRB2ADRB1RAB9ANPC1USP2
SCHEMBL26845369 0.96 ADRB2 (0.36) ADRB2ADRB1RAB9ANPC1USP2
SCHEMBL13108229 0.91 NPC1 (0.40) RAB9ANPC1USP2MTORMAPT
SCHEMBL19654123 0.88 RAB9A (0.38) ADRB2ADRB1RAB9ANPC1USP2
SCHEMBL26845543 0.88 RAB9A (0.36) ADRB2ADRB1RAB9ANPC1USP2
SCHEMBL13917651 0.87 RAB9A (0.36) ADRB2ADRB1RAB9ANPC1USP2
SCHEMBL12733763 0.86 RAB9A (0.41) ADRB2ADRB1RAB9ANPC1USP2
SCHEMBL13602010 0.86 RAB9A (0.41) ADRB2ADRB1RAB9ANPC1USP2
SCHEMBL26845473 0.86 RAB9A (0.41) ADRB2ADRB1RAB9ANPC1USP2
SCHEMBL14217449 0.85 NPC1 (0.40) RAB9ANPC1USP2MTORMAPT

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
US-7625757-B2 Reagent for immature leukocyte analysis and reagent kit SYSMEX CORPORATION (JP) 2009-12-01 US disclosed
US-20070178597-A1 Reagent for immature leukocyte analysis and reagent kit SYSMEX CORPORATION (JP) 2007-08-02 US disclosed