SCHEMBL9775992

SCHEMBL9775992

Cc1nc2ncn(C#Cc3ccc(F)cc3)c(O)c-2c1COC(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRM5 P41594 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
HTR7 P34969 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
SCHEMBL9775978 0.93 USP2 (0.31)
SCHEMBL9776108 0.91 TDP1 (0.37) NPC1RAB9AL3MBTL1
SCHEMBL9776248 0.91 NPC1 (0.35) NPC1L3MBTL1GRM5
SCHEMBL9776044 0.90 MAPT (0.38) NPC1RAB9AL3MBTL1
SCHEMBL9776197 0.89 MAPT (0.33) NPC1RAB9AL3MBTL1
SCHEMBL9045924 0.84 MAPT (0.33) GRM5EGLN1EGLN3
SCHEMBL9781132 0.81 GART (0.38)
SCHEMBL9776186 0.80 L3MBTL1 (0.32) L3MBTL1
SCHEMBL9776047 0.79 NPC1 (0.37) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL9046699 0.76 USP2 (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