SCHEMBL8329979

SCHEMBL8329979

COc1ccccc1Sc1c(Cl)nc(-c2ncccn2)nc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
PPP1CA P62136 5/20 0.49
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 4/20 0.43
CYP19A1 P11511 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HAO1 Q9UJM8 1/20 0.40
DHFR P00374 2/20 0.39
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39

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
SCHEMBL9155045 0.83 HAO1 (0.45) SMN1; SMN2PPP1CALMNAL3MBTL1MAPT
SCHEMBL8321620 0.80 HAO1 (0.45) SMN1; SMN2PPP1CALMNAL3MBTL1MAPT
SCHEMBL29770374 0.75 DHPS (0.58) DHPS
SCHEMBL618135 0.75 DHPS (0.58) DHPS
SCHEMBL27336651 0.72 MAPT (0.49) SMN1; SMN2PPP1CALMNAL3MBTL1MAPT
SCHEMBL622958 0.71 TSHR (0.45) LMNAL3MBTL1MAPTKMT2AMEN1
SCHEMBL7795451 0.70 DHPS (0.53) DHPS
SCHEMBL9018868 0.70 HAO1 (0.55) SMN1; SMN2PPP1CALMNAL3MBTL1MAPT
SCHEMBL31345525 0.70 CA1 (0.60) SMN1; SMN2PPP1CALMNAL3MBTL1MAPT
SCHEMBL4644640 0.70 CA1 (0.60) SMN1; SMN2PPP1CALMNAL3MBTL1MAPT

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
EP-0633259-B1 Sulfonylaminopyrimidines, their preparation and their use as medicine HOFFMANN LA ROCHE (CH) 1999-01-13 EP disclosed
US-5541186-A ENDOTHELIN RECEPTOR INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1996-07-30 US disclosed
EP-0633259-A1 Sulfonylaminopyrimidines, their preparation and their use as medicine F. HOFFMANN-LA ROCHE AG (CH) 1995-01-11 EP disclosed