SCHEMBL22562767

SCHEMBL22562767

PNc1ccc2c(c1)Sc1cc(NP)ccc1N2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 7/20 0.46
NOX1 Q9Y5S8 11/20 0.43
GAA P10253 5/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
ALOX15 P16050 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ALOX12 P18054 1/20 0.41
MAOA P21397 1/20 0.41
CNR1 P21554 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL1925368 0.79 SNCA (0.50) SNCANOX1GAAMAPTMEN1
SCHEMBL20398354 0.75 SNCA (0.46) SNCANOX1GAAMAPTMEN1
SCHEMBL81579 0.75 SNCA (0.46) SNCANOX1GAAMAPTMEN1
Hydrochloric Acid SCHEMBL22551074 0.73 SNCA (0.44) SNCANOX1GAAMAPTMEN1
SCHEMBL20488743 0.72 NOX1 (0.59) SNCANOX1GAAMAPTMEN1
SCHEMBL19832771 0.72 NOX1 (0.59) SNCANOX1GAAMAPTMEN1
SCHEMBL12471742 0.71 CA12 (0.44) SNCANOX1GAAMAPTMEN1
SCHEMBL20398344 0.71 MAPT (0.47) SNCANOX1GAAMAPTMEN1
SCHEMBL20398351 0.70 TDP1 (0.53) SNCANOX1GAAMAPTMEN1
SCHEMBL3890165 0.70 HTT (0.50) NOX1CYP1A2MAOAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3325453-B1 METHODS OF CHEMICAL SYNTHESIS OF SUBSTITUTED 10H-PHENOTHIAZINE-3,7-DIAMINE COMPOUNDS WISTA LAB LTD (SG) 2020-10-21 EP disclosed