SCHEMBL9835232

SCHEMBL9835232

NC1CSc2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
HTR2B P41595 1/20 0.36
S100A4 P26447 3/20 0.36
ANPEP P15144 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
ACHE P22303 2/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
MIF P14174 1/20 0.33

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
Hydrochloric Acid SCHEMBL10894182 0.98 ANPEP (0.38) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL16510462 0.78 S100A4 (0.36) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL9094355 0.77 S100A4 (0.35) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL68883 0.77 HPGD (0.37) MAPTLMNAS100A4TDP1MEN1
SCHEMBL10723275 0.77 ACHE (0.48) MAPTS100A4TDP1MEN1POLB
Hydrochloric Acid SCHEMBL10916075 0.74 ALDH1A1 (0.34) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL15035240 0.73 S100A4 (0.36) MAPTLMNAHTR2BS100A4TDP1
SCHEMBL11131924 0.72 LMNA (0.45) MAPTLMNAHTR2BACHEHPGD
SCHEMBL11637916 0.72 KDM4E (0.36) MAPTLMNACYP1A2HTR2BMEN1
SCHEMBL8144693 0.71 HTR2A (0.41) MAPTANPEPTDP1MEN1POLB

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
EP-0161218-B1 BENZO-(PYRANO AND THIOPYRANO)PYRIDINES CIBA-GEIGY AG (CH) 1991-06-26 EP disclosed
EP-0161218-A2 Benzo-(pyrano and thiopyrano)pyridines CIBA-GEIGY AG (CH) 1985-11-13 EP disclosed