SCHEMBL5510086

SCHEMBL5510086

[CH2]C=CCc1ccnc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.55
NCF1 P14598 1/20 0.44
HTR1A P08908 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39

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
SCHEMBL27594301 0.82 LOXL2 (0.55) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL7212101 0.81 LOXL2 (0.58) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL8591170 0.78 LOXL2 (0.50) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL7152163 0.78 LOXL2 (0.58) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL28879947 0.78 LOXL2 (0.58) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL4810603 0.78 LOXL2 (0.58) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL3397178 0.78 LOXL2 (0.58) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL3817375 0.75 LOXL2 (0.64) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL9572807 0.75 LOXL2 (0.64) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL334360 0.72 LOXL2 (0.67) LOXL2NCF1HTR1AADRA1DADRA1A

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-RE39836-E1 Macrolide antinfective agents KOSAN BIOSCIENCES, INC. (US) 2007-09-11 US claimed
US-6593302-B2 Antibiotics KOSAN BIOSCIENCES, INC. 2003-07-15 US claimed