SCHEMBL13134135

SCHEMBL13134135

CSc1nc(N=Nc2c(C)nn(-c3nc(O)nc(-n4nc(C)c(N=Nc5nc(SC)nn5-c5cc(C(=O)O)cc(C(=O)O)c5)c4N)n3)c2N)n(-c2cc(C(=O)O)cc(C(=O)O)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.36
▸ RAB9A P51151 6/20 0.36
▸ SMN1; SMN2 Q16637 6/20 0.36
▸ NPC1 O15118 5/20 0.36
▸ TDP1 Q9NUW8 4/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ LMNA P02545 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ TP53 P04637 1/20 0.30

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
SCHEMBL13134126 0.90 MAPT (0.35) MAPTRAB9ASMN1; SMN2NPC1TDP1
SCHEMBL10194345 0.79 MAPT (0.45) MAPTRAB9ASMN1; SMN2NPC1TDP1
SCHEMBL58803 0.79 MAPT (0.39) MAPTRAB9ASMN1; SMN2NPC1TDP1
SCHEMBL13134127 0.77 ALDH1A1 (0.31) ALDH1A1L3MBTL1
SCHEMBL13134132 0.77 PHGDH (0.35) MAPTMEN1KMT2AKDM4E
SCHEMBL58810 0.76 XDH (0.41) MAPTRAB9ASMN1; SMN2NPC1TDP1
SCHEMBL60015 0.76 MAPT (0.35) MAPTRAB9ASMN1; SMN2NPC1TDP1
SCHEMBL13762790 0.74 MAPT (0.36) MAPTRAB9ASMN1; SMN2NPC1TDP1
SCHEMBL12998748 0.74 SMN1; SMN2 (0.30) MAPTRAB9ASMN1; SMN2NPC1TDP1
SCHEMBL12084072 0.73 MAPT (0.33) MAPTRAB9ASMN1; SMN2NPC1TDP1

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-20100245509-A1 INK, INKJET INK, INKJET RECORDING METHOD AND METHOD FOR IMPROVING WEATHER RESISTANCE OF COLOR IMAGE MATERIAL FUJIFILM CORPORATION (JP) 2010-09-30 — — US disclosed
Send feedback