SCHEMBL8908581

SCHEMBL8908581

NC(CCCCCO)c1ccnc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.42
NCF1 P14598 1/20 0.41
HTR1A P08908 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
PDE5A O76074 1/20 0.37
FERMT2 Q96AC1 1/20 0.37
CYP2D6 P10635 8/20 0.37
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL8907514 0.98 LOXL2 (0.44) KDM4ELMNAMAPTHTTKMT2A
SCHEMBL9186226 0.88 LOXL2 (0.47) MAPTSMN1; SMN2LOXL2NCF1HTR1A
SCHEMBL15924893 0.87 LOXL2 (0.47) MAPTSMN1; SMN2LOXL2NCF1HTR1A
SCHEMBL8907641 0.85 LOXL2 (0.49) KDM4EMAPTKMT2ASMN1; SMN2LOXL2
SCHEMBL15924403 0.83 LOXL2 (0.50) MAPTSMN1; SMN2LOXL2NCF1HTR1A
SCHEMBL263407 0.81 LOXL2 (0.50) KDM4ELMNAMAPTHTTKMT2A
SCHEMBL277463 0.74 LOXL2 (0.50) KDM4EMAPTSMN1; SMN2LOXL2NCF1
SCHEMBL8908132 0.74 LOXL2 (0.50) KDM4EMAPTKMT2ASMN1; SMN2LOXL2
SCHEMBL1591841 0.74 NCF1 (0.52) KDM4ELMNAMAPTHTTKMT2A
SCHEMBL14163267 0.73 FERMT2 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997048705-A1 POTASSIUM CHANNEL BLOCKERS UNIVERSITY COLLEGE LONDON (GB) 1997-12-24 WO disclosed