SCHEMBL22364147

SCHEMBL22364147

CC(C)NCNC(=S)NC(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.37
HRH4 Q9H3N8 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH2 P25021 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 4/20 0.31
CYP3A4 P08684 1/20 0.31
HTT P42858 2/20 0.31
HPGD P15428 2/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL20073432 0.79 QPCT (0.42) QPCTHRH4MAPKAPK2NPSR1LMNA
SCHEMBL17971025 0.76 QPCT (0.34) QPCTHRH4MAPKAPK2NPSR1LMNA
SCHEMBL7726899 0.75
SCHEMBL11504017 0.73 HTT (0.53) QPCTNPSR1LMNAMEN1KMT2A
SCHEMBL437705 0.73 NPSR1 (0.44) NPSR1LMNAMEN1KMT2ATDP1
SCHEMBL10906577 0.71 QPCT (0.44) QPCTHRH4MEN1KMT2AHRH2
SCHEMBL19420512 0.71 HRH2 (0.55) QPCTHRH4MEN1KMT2AHRH2
SCHEMBL17664928 0.71 QPCT (0.44) QPCTHRH4MAPKAPK2NPSR1LMNA
SCHEMBL10906503 0.70 QPCT (0.36) QPCTHRH4MAPKAPK2NPSR1LMNA
SCHEMBL28998258 0.70 QPCT (0.42) QPCTHRH4MAPKAPK2NPSR1LMNA

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
US-10753942-B2 Methods to detect remnant cancer cells INDICATOR SYSTEMS INTERNATIONAL, INC. (US) 2020-08-25 US disclosed