SCHEMBL11766019

SCHEMBL11766019

CCN(CC)c1nc(N(CCO)CCO)nc(N(CCO)CCO)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 16/20 0.68
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
USP2 O75604 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
PDE2A O00408 1/20 0.42
RGS12 O14924 1/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
ABCC4 O15439 1/20 0.42
ABCC5 O15440 1/20 0.42
PDE6D O43924 1/20 0.42
PDE8A O60658 1/20 0.42
GMNN O75496 1/20 0.42
PDE5A O76074 1/20 0.42
ABCB11 O95342 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL12169523 0.93 SLC29A1 (0.64) SLC29A1TSHRTDP1USP2KDM4E
SCHEMBL1035062 0.87 SLC29A1 (0.58) SLC29A1TSHRTDP1USP2KDM4E
SCHEMBL11766055 0.85 SLC29A1 (0.52) SLC29A1TSHRTDP1USP2GAA
SCHEMBL11766112 0.85 SLC29A1 (0.52) SLC29A1TSHRTDP1USP2GAA
SCHEMBL17857263 0.82 SLC29A1 (0.54) SLC29A1TSHRTDP1USP2KDM4E
SCHEMBL2841753 0.82 SLC29A1 (0.57) SLC29A1TSHRTDP1USP2KDM4E
SCHEMBL2741119 0.82 TDP1 (0.64) SLC29A1TSHRTDP1USP2MEN1
SCHEMBL11767936 0.81 SLC29A1 (0.53) SLC29A1TSHRTDP1USP2KDM4E
SCHEMBL761630 0.80 TDP1 (0.52) SLC29A1TSHRTDP1USP2KDM4E
SCHEMBL15789173 0.79 SLC29A1 (0.59) SLC29A1TSHRTDP1USP2KDM4E

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-3981829-A CATALYST SYSTEM OF ALKANOLAMINOTRIAZINE, HEXAHYDROTRIAZINE, A PHENOL BASF WYANDOTTE CORPORATION (US) 1976-09-21 US disclosed