SCHEMBL9404134

SCHEMBL9404134

CSC(S)=C(C#N)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
TP53 P04637 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 3/20 0.38
MAPK10 P53779 3/20 0.38
LMNA P02545 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GABRA1 P14867 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRB2 P47870 2/20 0.33
KCNH2 Q12809 1/20 0.31

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
SCHEMBL9404133 1.00 MAPT (0.48) MAPTALDH1A1HPGDTP53L3MBTL1
SCHEMBL11011008 1.00 MAPT (0.48) MAPTALDH1A1HPGDTP53L3MBTL1
SCHEMBL1416929 0.77 MAPT (0.52) MAPTALDH1A1HPGDTP53L3MBTL1
SCHEMBL8402032 0.77
SCHEMBL8537626 0.77
SCHEMBL11965678 0.76 MAPT (0.50) MAPTALDH1A1HPGDTP53L3MBTL1
SCHEMBL11009383 0.75 IDO1 (0.37) MAPTALDH1A1HPGDTP53TSHR
SCHEMBL14012905 0.75 IDO1 (0.37) MAPTALDH1A1HPGDTP53TSHR
SCHEMBL11009384 0.75 IDO1 (0.37) MAPTALDH1A1HPGDTP53TSHR
Water SCHEMBL597798 0.74 MAPK10 (0.38) MAPTALDH1A1HPGDTP53L3MBTL1

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-6192245-A None JP disclosed
JP-H06192245-A PRODUCTION OF ISOTHIAZOLONE DERIVATIVE NIPPON NOHYAKU CO LTD 1994-07-12 JP disclosed
US-4542140-A ANTIULCER, ANTISECRETORY, GASTROINTESTINAL DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 1985-09-17 US disclosed