SCHEMBL6237592

SCHEMBL6237592

Cc1ccccc1COCCNCC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
SCN3A Q9NY46 1/20 0.40
SLC1A5 Q15758 1/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
SPHK2 Q9NRA0 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPT P10636 1/20 0.36
ADORA2A P29274 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
SCHEMBL6234780 0.83 HTR1A (0.47) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL6244574 0.83 IDO1 (0.44) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL6237597 0.79 CHRM2 (0.47) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL6239312 0.79 SMN1; SMN2 (0.52) HTR1AADRA1DADRA1AADRA1BSPHK2
SCHEMBL2669347 0.78 MAOB (0.43) MAOBSLC1A5KDM4EALDH1A1CHRM3
SCHEMBL6928724 0.77 MAOB (0.47) MAOBSLC1A5KDM4EALDH1A1HPGD
SCHEMBL6237705 0.77 RAB9A (0.45) MAOBALDH1A1SPHK2SPHK1MAPT
SCHEMBL21518156 0.75 HTR1B (0.46) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL29641278 0.74 HTR1A (0.36) MAOBHTR1AADRA1DADRA1AADRA1B
Trifluoroacetic Acid SCHEMBL7760506 0.72 SMN1; SMN2 (0.46) SPHK2SPHK1

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-2005011697-A2 SULFONAMIDE DERIVATIVES WITH ACTIVITY ON PROTEIN KINASE A AND B ASTEX THERAPEUTICS LIMITED (GB) 2005-02-10 WO disclosed