SCHEMBL4787659

SCHEMBL4787659

CC(C)CNS(=O)(=O)c1ccc(CN2CCNCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
LMNA P02545 3/20 0.58
HTT P42858 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
GLA P06280 1/20 0.48
MAPK1 P28482 1/20 0.47
GAA P10253 2/20 0.46
HTR6 P50406 1/20 0.46
CXCR4 P61073 3/20 0.46
MEN1 O00255 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
ADRA2C P18825 1/20 0.46
CCR2 P41597 1/20 0.46
CXCL12 P48061 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL15772291 0.81 HTR6 (0.56) ALDH1A1SMN1; SMN2LMNAITGB3ITGA2B
SCHEMBL4743359 0.79 LMNA (0.62) ALDH1A1SMN1; SMN2LMNAHTTITGB3
SCHEMBL4784784 0.78 ITGB3 (0.56) ALDH1A1SMN1; SMN2LMNAHTTITGB3
SCHEMBL722275 0.77 SIGMAR1 (0.56) LMNAHTR6CXCR4MEN1CHRM2
Hydrochloric Acid SCHEMBL29045124 0.76 CXCR4 (0.57) LMNAHTR6CXCR4MEN1CHRM2
SCHEMBL614784 0.74 KDM4E (0.58) ALDH1A1LMNACXCR4MEN1CHRM2
SCHEMBL15780652 0.74 ALDH1A1 (0.75) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL21303998 0.74 SIGMAR1 (0.59) LMNACXCR4MEN1CHRM2CHRM1
SCHEMBL6765737 0.72 CXCR4 (0.67) LMNACXCR4MEN1CHRM2CHRM1
SCHEMBL15771953 0.72 ALDH1A1 (0.73) ALDH1A1LMNAGAAMEN1KMT2A

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-2008109154-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS, INC. (US) 2008-09-12 WO disclosed