SCHEMBL7976494

SCHEMBL7976494

C=CCOc1nc(N2CCCCC2)c2nc(OCC=C)nc(N3CCCCC3)c2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ SLC29A1 Q99808 12/20 0.60
▸ SETDB1 Q15047 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ PDE2A O00408 1/20 0.39
▸ RGS12 O14924 1/20 0.39
▸ SLC22A2 O15244 1/20 0.39
▸ SLC22A1 O15245 1/20 0.39
▸ ABCC4 O15439 1/20 0.39
▸ ABCC5 O15440 1/20 0.39
▸ PDE6D O43924 1/20 0.39
▸ PDE8A O60658 1/20 0.39
▸ GMNN O75496 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ PDE5A O76074 1/20 0.39

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 0.78 SLC29A1 (0.66) MAPTMAPK1SLC29A1MEN1KMT2A
SCHEMBL11874405 0.78 MAPT (0.93) MAPTMAPK1SETDB1MEN1KMT2A
SCHEMBL7976583 0.75 SLC29A1 (0.71) MAPTSLC29A1MEN1KMT2AKDM4E
SCHEMBL7971739 0.74 SLC29A1 (0.60) MAPTSLC29A1MEN1KMT2AKDM4E
SCHEMBL7960351 0.72 SLC29A1 (0.61) MAPTSLC29A1MEN1KMT2AKDM4E
SCHEMBL7971382 0.72 HTT (0.60) MAPTSLC29A1MEN1KMT2AKDM4E
SCHEMBL7951223 0.71 SLC29A1 (0.41) MAPTMAPK1SLC29A1MEN1KMT2A
SCHEMBL7947717 0.70 SLC29A1 (0.86) MAPTSLC29A1MEN1KMT2AKDM4E
SCHEMBL23181 0.70 MAPK1 (0.55) MAPTMAPK1KDM4EALDH1A1HSD17B10
SCHEMBL7953158 0.69 SLC29A1 (0.74) MAPTSLC29A1MEN1KMT2AKDM4E

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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