SCHEMBL8032041

SCHEMBL8032041

CCCCCCCCCCCCC1CNC(CCCO)=N1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.40
MMP2 P08253 1/20 0.40
RAD52 P43351 1/20 0.40
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
GBA1 P04062 5/20 0.34
GLB1 P16278 1/20 0.34
GBA2 Q9HCG7 1/20 0.34
SCN2A Q99250 2/20 0.33
SPHK1 Q9NYA1 2/20 0.33
GUSB P08236 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL8031904 1.00 PSMD14 (0.40) PSMD14MMP2RAD52LMNAALDH1A1
SCHEMBL8022094 1.00 PSMD14 (0.40) PSMD14MMP2RAD52LMNAALDH1A1
SCHEMBL8035780 1.00 PSMD14 (0.40) PSMD14MMP2RAD52LMNAALDH1A1
SCHEMBL8038258 1.00 PSMD14 (0.40) PSMD14MMP2RAD52LMNAALDH1A1
SCHEMBL8038164 1.00 PSMD14 (0.40) PSMD14MMP2RAD52LMNAALDH1A1
SCHEMBL7778391 0.95 LMNA (0.39) PSMD14MMP2RAD52LMNAALDH1A1
SCHEMBL11807350 0.94 PSMD14 (0.34) PSMD14MMP2RAD52GBA1GLB1
SCHEMBL2007679 0.94 PSMD14 (0.34) PSMD14MMP2RAD52GBA1GLB1
SCHEMBL8031986 0.94 PSMD14 (0.34) PSMD14MMP2RAD52GBA1GLB1
SCHEMBL5986996 0.94 PSMD14 (0.34) PSMD14MMP2RAD52GBA1GLB1

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-6042750-A TETRAALKYLAMMONIUM HALIDE, ALKYLENEDIAMINE, ALIPHATIC HYDROCARBON HYDROXY IMIDAZOLINE, POLYOXYETHYLENE GLYCOL ESTERS AND AMINES, TRIALKANOLAMINE, AND AMINE OXYALKYLATE; PIPES Docter, Joan (US) 2000-03-28 US disclosed