SCHEMBL11525959

SCHEMBL11525959

CCN(CC)C(=O)NSC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
ALDH2 P05091 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
ABCC1 P33527 1/20 0.32
HTR1A P08908 2/20 0.31
TP53 P04637 2/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PHGDH O43175 1/20 0.30
PLIN1 O60240 1/20 0.30
GMNN O75496 1/20 0.30
TRPA1 O75762 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
SCHEMBL27699022 0.75 CA1 (0.38) ALDH1A1ALDH2MMP1MMP2MMP3
SCHEMBL27680011 0.75 CA12 (0.38) KMT2A
SCHEMBL11527941 0.75 LMNA (0.37) ALDH1A1ALDH2LMNAKMT2AMEN1
SCHEMBL22559958 0.71 LMNA (0.35) ALDH1A1ALDH2LMNAKMT2AMEN1
SCHEMBL27680102 0.71
SCHEMBL12086356 0.70 PTGES (0.40) ALDH1A1LMNAKMT2AMEN1MMP1
SCHEMBL20029592 0.70
SCHEMBL3069343 0.68
SCHEMBL11597372 0.68 FOLH1 (0.31)
SCHEMBL11140816 0.67 ALDH1A1 (0.34) ALDH1A1KMT2AMMP1MMP2MMP3

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
US-4156735-A SALIDIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1979-05-29 US disclosed
US-4118501-A SALIDIURETIC ACTIVITY HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed