SCHEMBL8070140

SCHEMBL8070140

Cc1cc(CCC(N)C(=O)c2nccs2)nc(N)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
PLA2G4A P47712 2/20 0.36
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 2/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
CASP1 P29466 2/20 0.32
RAB9A P51151 2/20 0.32
CASP7 P55210 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALOX15 P16050 1/20 0.32
HRH4 Q9H3N8 2/20 0.32
CTSK P43235 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8059228 0.86 HRH4 (0.38) ALDH1A1PLA2G4AMAPTRAB9AHRH4
SCHEMBL7374365 0.78 ALDH1A1 (0.37) ALDH1A1PLA2G4AGAATSHRKDM4E
SCHEMBL7372485 0.76 ALDH1A1 (0.38) ALDH1A1PLA2G4AGAANPC1RAB9A
SCHEMBL7377583 0.72 GABRP (0.43) ALDH1A1PLA2G4A
SCHEMBL8800894 0.71 ALDH1A1 (0.44) ALDH1A1PLA2G4AALOX15CTSK
SCHEMBL7378372 0.71 ALDH1A1 (0.42) ALDH1A1PLA2G4AHSD17B10CTSK
SCHEMBL7377556 0.70 ALDH1A1 (0.43) ALDH1A1PLA2G4ACTSK
SCHEMBL7375810 0.69 GSR (0.43) ALDH1A1PLA2G4ACTSK
SCHEMBL7950828 0.69 ALDH1A1 (0.42) ALDH1A1PLA2G4AALOX15CTSK
SCHEMBL27699627 0.67 ALDH1A1 (0.50) ALDH1A1PLA2G4A

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-6057314-A ANTICOAGULANTS BIOCHEM PHARMA INC. (CA) 2000-05-02 US disclosed