SCHEMBL10172902

SCHEMBL10172902

CNC(=O)c1cnn(C)c1N=Nc1c(C)nn(-c2cc(-n3nc(C)c(N=Nc4c(C(N)=O)cnn4C)c3N)ncn2)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ MAPT P10636 6/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPK14 Q16539 2/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ PDE4A P27815 3/20 0.32
▸ PDE4B Q07343 3/20 0.32
▸ PDE4C Q08493 3/20 0.32
▸ PDE4D Q08499 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ SPR P35270 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ MAPK11 Q15759 1/20 0.31
▸ NNMT P40261 1/20 0.31
▸ IRAK4 Q9NWZ3 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
SCHEMBL9972798 0.96 NPC1 (0.36) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL10135965 0.93 RAB9A (0.41) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL9972797 0.93 RAB9A (0.41) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL9972811 0.89 NPC1 (0.43) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL10136122 0.87 NPC1 (0.37) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL12766467 0.87 NPC1 (0.37) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL9972799 0.85 RAB9A (0.36) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL10332107 0.85 MAPT (0.38) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL10453828 0.84 NPC1 (0.46) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL9972801 0.82 NPC1 (0.34) NPC1RAB9AMAPTLMNAALDH1A1

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-20120165438-A1 AQUEOUS PIGMENT DISPERSION AND AQUEOUS INK FOR INK JET RECORDING FUJIFILM CORPORATION (JP) 2012-06-28 — — US disclosed
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