SCHEMBL4451935

SCHEMBL4451935

CC(C)N1CCN(c2cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(F)cc2/C=N/NC(N)=S)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.44
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
XBP1 P17861 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALOX12 P18054 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
PHGDH O43175 8/20 0.41
RAB9A P51151 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40

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
SCHEMBL4451937 1.00 LMNA (0.44) LMNAMAPTHTTKMT2AMEN1
SCHEMBL4334437 0.90 LMNA (0.46) LMNAMAPTHTTKMT2AMEN1
SCHEMBL4334434 0.90 LMNA (0.46) LMNAMAPTHTTKMT2AMEN1
SCHEMBL4331984 0.90 LMNA (0.48) LMNAMAPTHTTKMT2AMEN1
SCHEMBL4331981 0.90 LMNA (0.48) LMNAMAPTHTTKMT2AMEN1
SCHEMBL4334847 0.89 LMNA (0.49) LMNAMAPTHTTKMT2AMEN1
SCHEMBL4334844 0.89 LMNA (0.49) LMNAMAPTHTTKMT2AMEN1
SCHEMBL4455943 0.88 ALDH1A1 (0.50) LMNAMAPTHTTKMT2AMEN1
SCHEMBL4455942 0.88 ALDH1A1 (0.50) LMNAMAPTHTTKMT2AMEN1
SCHEMBL13612379 0.88 CHRM2 (0.38) LMNAMAPTHTTSMN1; SMN2ALOX12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 US disclosed
US-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 US disclosed
US-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 US disclosed