SCHEMBL1755296

SCHEMBL1755296

CC(C)Nc1ncnc2cc(OCCCS(C)(=N)=O)c(C3OC(C)O3)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EGFR P00533 13/20 0.35
HDAC3 O15379 6/20 0.35
HDAC4 P56524 6/20 0.35
HDAC1 Q13547 6/20 0.35
HDAC7 Q8WUI4 6/20 0.35
HDAC2 Q92769 6/20 0.35
HDAC10 Q969S8 6/20 0.35
HDAC11 Q96DB2 6/20 0.35
HDAC8 Q9BY41 6/20 0.35
HDAC6 Q9UBN7 6/20 0.35
HDAC9 Q9UKV0 6/20 0.35
HDAC5 Q9UQL6 6/20 0.35
ERBB2 P04626 3/20 0.35
PDE1B Q01064 1/20 0.34
ENPP1 P22413 3/20 0.34
KRAS P01116 1/20 0.34
SOS1 Q07889 1/20 0.34

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
SCHEMBL1755315 0.82 LMNA (0.39) LMNAHTTSMN1; SMN2EGFRHDAC3
SCHEMBL1755314 0.82 EGFR (0.49) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL10231682 0.81 LMNA (0.32) LMNAHTTSMN1; SMN2EGFRHDAC3
SCHEMBL1707561 0.79 HDAC3 (0.51) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL1707502 0.77 EGFR (0.38) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL13784505 0.75 ABCG2 (0.38) LMNAHTTSMN1; SMN2EGFRHDAC3
SCHEMBL1755322 0.75 LMNA (0.47) LMNAHTTSMN1; SMN2EGFRKRAS
SCHEMBL1706654 0.65 HTT (0.46) LMNAHTTSMN1; SMN2EGFRERBB2
SCHEMBL1841173 0.64 HTT (0.45) LMNAHTTSMN1; SMN2EGFRKRAS
SCHEMBL1839570 0.64 EGFR (0.51) LMNAHTTEGFRKRASSOS1

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-2247579-B1 SULPHOXIMINE-SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNOMODULATORS, THEIR PREPARATION AND USE AS MEDICAMENTS Bayer Pharma AG (DE) 2012-04-18 EP disclosed
WO-2009089851-A1 SULPHOXIMINE-SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNOMODULATORS, THEIR PREPARATION AND USE AS MEDICAMENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-23 WO disclosed