SCHEMBL7960351

SCHEMBL7960351

CC(=O)COc1nc(N2CCCCC2)c2nc(OCC(C)=O)nc(N3CCCCC3)c2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 13/20 0.61
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ PDE2A O00408 1/20 0.40
▸ RGS12 O14924 1/20 0.40
▸ SLC22A2 O15244 1/20 0.40
▸ SLC22A1 O15245 1/20 0.40
▸ ABCC4 O15439 1/20 0.40
▸ ABCC5 O15440 1/20 0.40
▸ PDE6D O43924 1/20 0.40
▸ PDE8A O60658 1/20 0.40
▸ GMNN O75496 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ PDE5A O76074 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40

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
SCHEMBL7970119 0.79 SLC29A1 (0.66) SLC29A1ALDH1A1LMNAMEN1KMT2A
SCHEMBL7976583 0.76 SLC29A1 (0.71) SLC29A1ALDH1A1LMNAMEN1KMT2A
SCHEMBL7971739 0.75 SLC29A1 (0.60) SLC29A1ALDH1A1LMNAMEN1KMT2A
SCHEMBL7971382 0.73 HTT (0.60) SLC29A1ALDH1A1LMNAMEN1KMT2A
SCHEMBL7976494 0.72 MAPT (0.64) SLC29A1ALDH1A1LMNAMEN1KMT2A
SCHEMBL7947717 0.71 SLC29A1 (0.86) SLC29A1ALDH1A1LMNAMEN1KMT2A
SCHEMBL31419884 0.70 SLC29A1 (0.48) SLC29A1ALDH1A1LMNAMEN1KMT2A
SCHEMBL7948817 0.70 SLC29A1 (0.57) SLC29A1ALDH1A1LMNAMEN1KMT2A
SCHEMBL7953158 0.70 SLC29A1 (0.74) SLC29A1ALDH1A1LMNAMEN1KMT2A
SCHEMBL1276832 0.70 SLC29A1 (0.61) SLC29A1ALDH1A1LMNAMEN1KMT2A

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-6297250-B1 USEFUL FOR INHIBITING TRANSPORT OF NUCLEOSIDES OR PURINES ACROSS CELL MEMBRANES, THEREBY TO POTENTIATE THE ACTIVITY OF VARIOUS CYTOTOXIC ANTITUMOR DRUGS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2001-10-02 — — US disclosed
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