SCHEMBL17651968

SCHEMBL17651968

N#Cc1ccccc1OC1c2ccccc2-n2cncc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.43
IDO1 P14902 1/20 0.37
PKM P14618 1/20 0.33
GPR6 P46095 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
FNTA P49354 4/20 0.32
FNTB P49356 4/20 0.32
PGGT1B P53609 4/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
NOTUM Q6P988 1/20 0.31
KCNN4 O15554 1/20 0.31
LRRK2 Q5S007 1/20 0.30
PDE9A O76083 1/20 0.30

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
SCHEMBL17665686 0.82 TDO2 (0.47) TDO2IDO1
SCHEMBL17651954 0.81 TDO2 (0.46) TDO2IDO1
SCHEMBL17651951 0.81 TDO2 (0.46) TDO2IDO1L3MBTL1MAPK1POLB
SCHEMBL17665684 0.78 TDO2 (0.46) TDO2IDO1
SCHEMBL17665692 0.78 TDO2 (0.52) TDO2IDO1
SCHEMBL17651997 0.77 TDO2 (0.41) TDO2IDO1GPR6FNTAFNTB
SCHEMBL17651987 0.77 TDO2 (0.50) TDO2IDO1GAA
SCHEMBL17665351 0.75 TDO2 (0.48) TDO2IDO1
SCHEMBL17665685 0.75 TDO2 (0.41) TDO2IDO1
SCHEMBL17665691 0.75 SLC9A3 (0.43) TDO2MAPK1POLB

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-2016051181-A1 4H-IMIDAZO[1,5-A]INDOLE DERIVATIVES AND THEIR USE AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) AND/OR TRYPTOPHAN 2,3-DIOXYGENASE (TD02) MODULATORS REDX PHARMA PLC (GB) 2016-04-07 WO disclosed
WO-2016051181-A1 4H-IMIDAZO[1,5-A]INDOLE DERIVATIVES AND THEIR USE AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) AND/OR TRYPTOPHAN 2,3-DIOXYGENASE (TD02) MODULATORS REDX PHARMA PLC (GB) 2016-04-07 WO disclosed