SCHEMBL9775978

SCHEMBL9775978

Cc1ccc(C#Cn2cnc3nc(C)c(COC(=O)C(C)(C)C)c-3c2O)cc1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31

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
SCHEMBL9776108 0.93 TDP1 (0.37)
SCHEMBL9775992 0.93 NPC1 (0.37)
SCHEMBL9776248 0.92 NPC1 (0.35)
SCHEMBL9776044 0.92 MAPT (0.38) TSHR
SCHEMBL9776197 0.91 MAPT (0.33) TSHR
SCHEMBL9046699 0.83 USP2 (0.34) USP2ALOX15TSHRHTTNPSR1
SCHEMBL9781132 0.82 GART (0.38)
SCHEMBL9776186 0.82 L3MBTL1 (0.32)
SCHEMBL9776056 0.78 NPC1 (0.31)
SCHEMBL9776128 0.77 KDM4E (0.34)

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-4996206-A Antitumor agent THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-02-26 US disclosed