SCHEMBL11296232

SCHEMBL11296232

O=C(NCCO)N(S)CCO

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 2/20 0.34
ABCB11 O95342 1/20 0.34
GSR P00390 1/20 0.34
HTT P42858 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
NTRK2 Q16620 1/20 0.33
CYP3A4 P08684 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 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
SCHEMBL11814080 0.81 NAAA (0.41) MEN1ALDH1A1KMT2AMAPTBLM
SCHEMBL4579840 0.80 ALDH1A1 (0.37) ALDH1A1KMT2A
SCHEMBL11591883 0.77 SMN1; SMN2 (0.41) ALDH1A1KMT2AMAPTTSHRHTT
SCHEMBL12266130 0.76 MEN1 (0.41) MEN1ALDH1A1KMT2AUSP2MAPT
SCHEMBL691955 0.76 ALDH1A1 (0.41) MEN1ALDH1A1KMT2AUSP2MAPT
SCHEMBL176404 0.75 ALDH1A1 (0.38) MEN1ALDH1A1KMT2AUSP2MAPT
SCHEMBL4580304 0.74
SCHEMBL11338587 0.74
SCHEMBL7152001 0.71 ALOX5 (0.38) MEN1ALDH1A1KMT2AUSP2MAPT
SCHEMBL11633716 0.71 MMP1 (0.39) ALDH1A1USP2MAPTTSHRCHRNB2

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-4293454-A TO PRODUCE A FLAME RETARDANT; SAID NITROGEN COMPOUND BEING A UREA, THIOUREA OR SULFAMIDE PENNWALT CORPORATION (US) 1981-10-06 US disclosed