SCHEMBL14767590

SCHEMBL14767590

COC(=O)c1cnn(-c2ccccc2)c1NN(C)c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4c(C(=O)CO)cnn4-c4ccccc4)c3N)n2)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.35
▸ RAB9A P51151 7/20 0.35
▸ SMN1; SMN2 Q16637 6/20 0.35
▸ NPC1 O15118 5/20 0.35
▸ MAPT P10636 5/20 0.35
▸ TDP1 Q9NUW8 5/20 0.35
▸ HPGD P15428 4/20 0.35
▸ HTT P42858 3/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ GPR35 Q9HC97 1/20 0.31
▸ GPR55 Q9Y2T6 1/20 0.31
▸ KDM4E B2RXH2 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
SCHEMBL9972805 0.90 HPGD (0.41) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL10454139 0.84 HPGD (0.46) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL15730957 0.84 HPGD (0.41) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL12759192 0.82 HPGD (0.40) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL15730960 0.81 RAB9A (0.43) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL13159985 0.80 HPGD (0.42) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL10167743 0.78 ALDH1A1 (0.37) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL9972787 0.78 KMT2A (0.35) RAB9ANPC1HPGDMEN1KMT2A
SCHEMBL20411816 0.78 HPGD (0.46) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL10332024 0.78 RAB9A (0.48) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT

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
EP-2223977-B1 Radiation-curable ink composition for inkjet recording, inkjet recording method, and printed matter FUJIFILM CORP (JP) 2013-03-13 — — EP disclosed
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