SCHEMBL4073841

SCHEMBL4073841

Cc1ccc(OC(N)C(C)O)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNB4 P30926 1/20 0.37
SLC6A4 P31645 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CHRND Q07001 1/20 0.37

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
SCHEMBL3721647 0.78 LMNA (0.53) SMN1; SMN2LMNAALDH1A1MAPTTDP1
SCHEMBL6260397 0.77 POLB (0.50) SMN1; SMN2CYP3A4KMT2ACYP1A2CYP2C19
SCHEMBL19758134 0.75 SMN1; SMN2 (0.54) SMN1; SMN2LMNAMAPTTDP1CYP3A4
SCHEMBL14122188 0.75 TDP1 (0.72) SMN1; SMN2LMNAALDH1A1TDP1CYP1A2
SCHEMBL4071020 0.74 ADRA2A (0.49) ALDH1A1MAPTKMT2ASLC6A2SLC6A4
SCHEMBL4079547 0.73 SCN5A (0.37) SMN1; SMN2LMNACYP3A4KMT2ACYP1A2
SCHEMBL900880 0.73 LMNA (0.48) SMN1; SMN2LMNAALDH1A1MAPTTDP1
SCHEMBL14122214 0.72 MEN1 (0.53) SMN1; SMN2LMNAALDH1A1MAPTTDP1
SCHEMBL14122615 0.72 MEN1 (0.53) SMN1; SMN2LMNAALDH1A1MAPTTDP1
SCHEMBL14122213 0.72 MEN1 (0.53) SMN1; SMN2LMNAALDH1A1MAPTTDP1

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
EP-2066673-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS ChemBridge Research Laboratories, Inc. (US) 2009-06-10 EP disclosed
WO-2008021369-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2008-02-21 WO disclosed