SCHEMBL8898745

SCHEMBL8898745

C/C=C/CCCC(CC)c1c(CC)cc2ccccc2c1C(N)=O

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLA P06280 3/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GPR84 Q9NQS5 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
SCHEMBL8897200 0.94 ALDH1A1 (0.32) GLAALDH1A1KDM4EMEN1CYP1A2
SCHEMBL8897888 0.85 CNR2 (0.36) GLAALDH1A1KDM4EMEN1CYP1A2
SCHEMBL8901079 0.85 TLR8 (0.33) GLAALDH1A1KDM4EMEN1CYP1A2
SCHEMBL8897858 0.85 ALDH1A1 (0.35) GLAALDH1A1KDM4EMEN1CYP1A2
SCHEMBL8898755 0.84 TACR3 (0.31) GLAALDH1A1KDM4EMEN1CYP1A2
SCHEMBL8897205 0.77 KDM4E (0.32) GLAALDH1A1KDM4EMEN1CYP1A2
SCHEMBL8898063 0.77 MEN1 (0.32) GLAALDH1A1KDM4EMEN1HPGD
SCHEMBL8897692 0.75 PARP1 (0.33) KDM4EMEN1KMT2AHSD17B10MAPT
SCHEMBL8897899 0.70 CNR2 (0.36) GLAALDH1A1KDM4EMEN1CYP1A2
SCHEMBL8898141 0.69 MEN1 (0.33) GLAALDH1A1KDM4EMEN1HPGD

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-5703091-A N-substituted azabicycloalkane derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed