SCHEMBL3454078

SCHEMBL3454078

CCOC(=O)c1sc(-c2c(OCc3ccc(C(F)(F)F)o3)cc[nH]c2=O)nc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
KDM4E B2RXH2 10/20 0.40
ALDH1A1 P00352 7/20 0.40
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 5/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
HSP90AA1 P07900 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
HPGD P15428 4/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL3454212 0.90 SMN1; SMN2 (0.39) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL3455595 0.83 SCD (0.47) ALDH1A1
SCHEMBL3454678 0.81 ALDH1A1 (0.48) LMNACDC7DBF4KDM4EALDH1A1
SCHEMBL3454521 0.81 LMNA (0.51) LMNACDC7DBF4KDM4EALDH1A1
SCHEMBL3455045 0.80 SCD (0.57) LMNAALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL3454424 0.79 CDC7 (0.52) LMNACDC7DBF4KDM4EALDH1A1
SCHEMBL3454105 0.78 LMNA (0.44) LMNACDC7DBF4KDM4EALDH1A1
SCHEMBL3454224 0.77 LMNA (0.46) LMNACDC7DBF4KDM4EALDH1A1
SCHEMBL3454216 0.75 CDC7 (0.54) LMNACDC7DBF4KDM4EALDH1A1
SCHEMBL3367577 0.73 SCD (0.49) ALDH1A1MAPTKMT2AMEN1

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-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO disclosed