SCHEMBL10176260

SCHEMBL10176260

CC(C)Nc1ncnc2c1cnn2-c1ccc(C(C)C)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 13/20 0.81
NPC1 O15118 9/20 0.81
RAB9A P51151 9/20 0.81
SMN1; SMN2 Q16637 8/20 0.81
KDM4E B2RXH2 8/20 0.81
HPGD P15428 7/20 0.81
HSD17B10 Q99714 5/20 0.81
HTT P42858 3/20 0.81
MEN1 O00255 2/20 0.81
KMT2A Q03164 2/20 0.81
TDP1 Q9NUW8 1/20 0.81
LMNA P02545 8/20 0.76
ALDH1A1 P00352 4/20 0.76
TSHR P16473 2/20 0.76
MAPT P10636 4/20 0.73
PIP4K2A P48426 1/20 0.58
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
GAA P10253 1/20 0.51

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
SCHEMBL15214873 0.88 TP53 (0.79) TP53NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2496169 0.87 TP53 (0.77) TP53NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL10360610 0.85 NPC1 (0.73) TP53NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL10226093 0.85 TP53 (0.73) TP53NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL10226088 0.75 LMNA (0.66) TP53NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL19700808 0.74 KDM4E (0.62) TP53NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8344591 0.71 LMNA (0.74) TP53NPC1RAB9AKDM4EHSD17B10
SCHEMBL10360896 0.71 NPC1 (0.42) TP53NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6206370 0.68 KDM4E (0.73) TP53NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL24392129 0.68 NPC1 (0.66) TP53NPC1RAB9ASMN1; SMN2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed