SCHEMBL16329556

SCHEMBL16329556

COC(=O)c1cnn(-c2ccccc2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4-c4ccccc4)c3N)ncn2)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.53
▸ NPC1 O15118 8/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ MAPT P10636 8/20 0.48
▸ LMNA P02545 4/20 0.48
▸ HPGD P15428 4/20 0.46
▸ SMN1; SMN2 Q16637 7/20 0.45
▸ TDP1 Q9NUW8 6/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ MAPK1 P28482 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ ALOX12 P18054 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.39

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
SCHEMBL10136044 0.94 RAB9A (0.48) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL10136050 0.90 RAB9A (0.44) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL10453727 0.89 NPC1 (0.49) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL10453865 0.89 NPC1 (0.49) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL10453869 0.88 NPC1 (0.47) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL10453828 0.87 NPC1 (0.46) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL15457603 0.86 NPC1 (0.48) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL10454125 0.85 NPC1 (0.45) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL13159987 0.85 ALDH1A1 (0.45) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL10453867 0.85 NPC1 (0.44) RAB9ANPC1ALDH1A1MAPTLMNA

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-20110205289-A1 INK COMPOSITION, INK SET AND IMAGE FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2011-08-25 — — US disclosed
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