SCHEMBL7649012

SCHEMBL7649012

CC(OP(=O)(O)Cc1ccccc1)c1ccsc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
HPGD P15428 1/20 0.35
ACP3 P15309 2/20 0.35
ALOX5 P09917 1/20 0.35
LAP3 P28838 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
POLB P06746 1/20 0.34
CETP P11597 3/20 0.33

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
SCHEMBL7607013 0.84 IDO1 (0.36) IDO1TDO2HPGDACP3LAP3
SCHEMBL7606961 0.83 IDO1 (0.35) IDO1TDO2HPGDACP3TSHR
SCHEMBL5060007 0.82 FOLH1 (0.33) ALOX5LAP3POLB
SCHEMBL5053064 0.79 FOLH1 (0.42)
SCHEMBL5403461 0.76 POLB (0.49) HPGDACP3LAP3MEN1KMT2A
SCHEMBL5051199 0.74 SRR (0.42)
SCHEMBL5053065 0.73 SLC1A3 (0.41) ACP3LAP3
SCHEMBL5051158 0.72 FOLH1 (0.43) HPGDLAP3MEN1KMT2ACYP2C9
SCHEMBL1407856 0.72 TRPA1 (0.42) HPGDLAP3MEN1KMT2ATSHR
SCHEMBL5054444 0.72 MAPT (0.42) IDO1TDO2ACP3SLC6A2SLC6A3

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
JP-2002514184-A 2002-05-14 JP claimed
EP-1005348-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 2000-06-07 EP claimed
WO-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed