SCHEMBL8901079

SCHEMBL8901079

C=CCCCCC(CC)c1c(CC)cc2ccccc2c1C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.33
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
GLA P06280 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
PLA2G1B P04054 1/20 0.30
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
SCHEMBL8897888 0.88 CNR2 (0.36) KDM4ELMNAMEN1ALDH1A1CYP1A2
SCHEMBL8898745 0.85 GLA (0.31) KDM4EMEN1ALDH1A1CYP1A2GLA
SCHEMBL8901090 0.84 PLA2G1B (0.32) KDM4ELMNAMEN1ALDH1A1CYP1A2
SCHEMBL8897200 0.83 ALDH1A1 (0.32) KDM4EMEN1ALDH1A1CYP1A2GLA
SCHEMBL8897858 0.83 ALDH1A1 (0.35) KDM4EMEN1ALDH1A1CYP1A2GLA
SCHEMBL8896377 0.77 LMNA (0.33) TLR8KDM4ELMNAMEN1KMT2A
SCHEMBL8900069 0.75 KDM4E (0.39) KDM4ELMNAMEN1KMT2A
SCHEMBL8897899 0.72 CNR2 (0.36) KDM4EMEN1ALDH1A1CYP1A2GLA
SCHEMBL8898755 0.69 TACR3 (0.31) KDM4EMEN1ALDH1A1CYP1A2GLA
SCHEMBL15090920 0.68 ALDH1A1 (0.44) KDM4EMEN1ALDH1A1CYP1A2GLA

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