SCHEMBL8623901

SCHEMBL8623901

O=S1(=O)NCNc2cc(Cl)ncc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.49
CA1 P00915 3/20 0.49
LMNA P02545 2/20 0.49
CYP2C9 P11712 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
THRB P10828 1/20 0.49
APEX1 P27695 1/20 0.49
HTR2B P41595 1/20 0.49
PMP22 Q01453 1/20 0.49
CA12 O43570 4/20 0.43
CA9 Q16790 3/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL14351477 0.74 CA2 (0.53) CA2CA1LMNACYP2C9SMN1; SMN2
SCHEMBL14340040 0.71 CA2 (0.61) CA2CA1LMNACYP2C9SMN1; SMN2
SCHEMBL8623987 0.70 CA12 (0.40) CA2CA1LMNACYP2C9SMN1; SMN2
SCHEMBL19166754 0.70 CA2 (0.64) CA2CA1LMNACYP2C9SMN1; SMN2
SCHEMBL8429639 0.70 CA2 (0.60) CA2CA1LMNACYP2C9SMN1; SMN2
SCHEMBL15998269 0.67 CA2 (0.50) CA2CA1LMNACYP2C9SMN1; SMN2
Hydrochlorothiazide SCHEMBL156490 0.66 LMNA (1.00) CA2CA1LMNACYP2C9SMN1; SMN2
Hydrochlorothiazide SCHEMBL9508286 0.65 LMNA (0.97) CA2CA1LMNACYP2C9SMN1; SMN2
Hydrochlorothiazide SCHEMBL10778059 0.65 LMNA (0.97) CA2CA1LMNACYP2C9SMN1; SMN2
Hydrochlorothiazide SCHEMBL10408471 0.65 LMNA (0.97) CA2CA1LMNACYP2C9SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5459138-A Dysfunctions of glutamatergic neurotransmission associated with learning and memory ADIR ET COMPAGNIE (FR) 1995-10-17 US claimed
EP-0618209-B1 Pyridothiadiazines, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 1998-12-23 EP disclosed
US-5459138-A Dysfunctions of glutamatergic neurotransmission associated with learning and memory ADIR ET COMPAGNIE (FR) 1995-10-17 US disclosed
EP-0618209-A1 Pyridothiadiazines, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-10-05 EP disclosed