SCHEMBL8314229

SCHEMBL8314229

C(C=Cc1nc2c(s1)NCCCC2)=Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.37
MAPK9 P45984 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
TSHR P16473 1/20 0.33
ADRA2A P08913 1/20 0.33
MAOA P21397 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
ALDH1A1 P00352 4/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RAB9A P51151 3/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HDAC3 O15379 1/20 0.31

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
SCHEMBL8314227 1.00 MAOB (0.37) MAOBMAPK9MAPKAPK2TSHRADRA2A
SCHEMBL8310785 0.92 RAB9A (0.38) MAOBMAPK9MAPKAPK2TSHRADRA2A
SCHEMBL8310781 0.92 RAB9A (0.38) MAOBMAPK9MAPKAPK2TSHRADRA2A
Oxalic Acid SCHEMBL8315279 0.86 ALDH1A1 (0.37) MAOBMAPK9MAPKAPK2TSHRADRA2A
Oxalic Acid SCHEMBL8315277 0.86 ALDH1A1 (0.37) MAOBMAPK9MAPKAPK2TSHRADRA2A
SCHEMBL8317159 0.84 SMN1; SMN2 (0.38) MAOBTSHRMAOAALDH1A1MAPT
SCHEMBL8317162 0.84 SMN1; SMN2 (0.38) MAOBTSHRMAOAALDH1A1MAPT
SCHEMBL8316008 0.79 FGF23 (0.36) NISCHMAPTLMNATP53SMN1; SMN2
SCHEMBL8316004 0.79 FGF23 (0.36) NISCHMAPTLMNATP53SMN1; SMN2
SCHEMBL8313753 0.79 KDM4E (0.34) MAOBALDH1A1MAPTLMNAMAPK1

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-0351856-B1 Thiazolo[5,4-b]azepine compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-09-15 EP disclosed
US-5300639-A 2-oxo-3-carbonylamino-substituted azepine intermediates; lipoperoxide formation inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-05 US disclosed
US-5118806-A Enzyme inhibitor for lipoxygenase; useful for treating cancer, hepatic diseases, inflammation, cerebrovascular diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-02 US disclosed