SCHEMBL8617330

SCHEMBL8617330

CNCC(C#N)(C#N)NCC1CCCN(Cc2ccc(OC)c(OC)c2)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
POLB P06746 2/20 0.54
GAA P10253 1/20 0.54
ATM Q13315 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 2/20 0.42
PDE2A O00408 1/20 0.41
TARDBP Q13148 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
SCHEMBL8622621 0.87 KMT2A (0.52) ALDH1A1POLBMAOAMAOBKDM4E
SCHEMBL8619286 0.85 CCR3 (0.46) POLBKMT2AMEN1PDE2A
SCHEMBL8622390 0.84 LTA4H (0.44) ALDH1A1POLBGAAMAOAMAOB
SCHEMBL8617203 0.83 POLB (0.48) ALDH1A1POLBGAAATMMAOA
SCHEMBL8617097 0.83 KMT2A (0.49) ALDH1A1POLBGAAATMKDM4E
SCHEMBL8624170 0.82 ALDH1A1 (0.43) ALDH1A1POLBGAAKDM4EKMT2A
SCHEMBL8329017 0.78 ALDH1A1 (0.54) ALDH1A1POLBGAAATMMAOA
SCHEMBL8329014 0.77 POLB (0.61) ALDH1A1POLBGAAATMMAOA
SCHEMBL8323528 0.75 ALDH1A1 (0.59) ALDH1A1POLBGAAATMMAOA
SCHEMBL8326524 0.75 ALDH1A1 (0.59) ALDH1A1POLBGAAATMMAOA

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
US-5753654-A GASTROINTESTINAL DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-05-19 US disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed