SCHEMBL11004064

SCHEMBL11004064

CN1C(c2ccccc2)=CN2c3ccccc3SC12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GSK3B P49841 3/20 0.32
▸ KDM1A O60341 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ NOX1 Q9Y5S8 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ ADRA2A P08913 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ ADRA2C P18825 1/20 0.30
▸ CHRM3 P20309 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ HTR2C P28335 1/20 0.30

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
SCHEMBL11006418 0.85 HSD17B1 (0.35) BCHE
SCHEMBL11006279 0.81 NPC1 (0.38) ALDH1A1SMN1; SMN2GSK3BKDM1ALMNA
SCHEMBL11010863 0.78 GSK3B (0.32) GSK3B
SCHEMBL8559832 0.78 GSK3B (0.34) GSK3B
SCHEMBL11005893 0.75 GSK3B (0.34) ALDH1A1GSK3BLMNAL3MBTL1BCHE
SCHEMBL3866344 0.74 GSK3B (0.34) GSK3BDRD2BCHE
SCHEMBL9569380 0.73 GSK3B (0.34) GSK3BLMNATDP1MEN1KMT2A
SCHEMBL30085699 0.72 HRH3 (0.39) ALDH1A1KDM1ALMNAMEN1KMT2A
SCHEMBL9569405 0.71 EGFR (0.43) MAOAKDM1AL3MBTL1MAPTMAPK1
SCHEMBL11007770 0.71 BCHE (0.33) GSK3BLMNAL3MBTL1BCHE

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
US-4497817-A ANTIALLERGENS-IMMUNOSUPPRESSIVE AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1985-02-05 — — US disclosed
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