SCHEMBL9441968

SCHEMBL9441968

O=C(O)c1cc(=S)c2cc(Cl)ccc2[nH]1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.77
GRIN2D O15399 2/20 0.77
GRIN3B O60391 2/20 0.77
GRIN2A Q12879 2/20 0.77
GRIN2B Q13224 2/20 0.77
GRIN2C Q14957 2/20 0.77
GRIN3A Q8TCU5 2/20 0.77
F7 P08709 2/20 0.61
F3 P13726 2/20 0.61
KDM4E B2RXH2 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 2/20 0.56
HPGD P15428 2/20 0.56
MAPK1 P28482 2/20 0.56
CYP2C9 P11712 1/20 0.56
BLM P54132 1/20 0.56
MAP2 P11137 3/20 0.49
RHEB Q15382 3/20 0.48
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL9441971 0.87 GRIN1 (1.00) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL1504031 0.82 MEN1 (0.77) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL9441948 0.81 GRIN2D (0.55) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL9441947 0.81 KDM4E (0.61) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL28173782 0.79 F7 (0.58) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
5-Chloroindole-2-Carboxylic Acid SCHEMBL720582 0.76 F7 (1.00) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
5-Chloroindole-2-Carboxylic Acid SCHEMBL6921825 0.75 F7 (0.96) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL9441950 0.73 GRIN1 (0.57) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL30310328 0.73 F7 (0.74) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL671001 0.73 F7 (0.74) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B

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-5250541-A Neurological disorders FIDIA S.P.A. (IT) 1993-10-05 US disclosed
WO-1991001973-A1 KYNURENIC ACID DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FIDIA S.P.A. (IT) 1991-02-21 WO disclosed