SCHEMBL13159987

SCHEMBL13159987

COC(=O)c1cnn(-c2ccccn2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)C=O)cnn4-c4ccccn4)c3N)ncn2)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ HPGD P15428 4/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 7/20 0.45
▸ LMNA P02545 2/20 0.43
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ SPR P35270 4/20 0.36
▸ MAPK14 Q16539 2/20 0.36
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL10453727 0.95 NPC1 (0.49) ALDH1A1NPC1RAB9AHPGDTP53
SCHEMBL10453865 0.95 NPC1 (0.49) ALDH1A1NPC1RAB9AHPGDTP53
SCHEMBL13159986 0.91 NPC1 (0.43) ALDH1A1NPC1RAB9AHPGDTP53
SCHEMBL9972806 0.90 NPC1 (0.47) ALDH1A1NPC1RAB9AHPGDTP53
SCHEMBL10331432 0.90 NPC1 (0.47) ALDH1A1NPC1RAB9AHPGDTP53
SCHEMBL13159989 0.90 NPC1 (0.40) ALDH1A1NPC1RAB9AHPGDTP53
SCHEMBL10454267 0.88 NPC1 (0.42) ALDH1A1NPC1RAB9AHPGDTP53
SCHEMBL10234007 0.86 NPC1 (0.52) ALDH1A1NPC1RAB9AHPGDTP53
SCHEMBL10453869 0.86 NPC1 (0.47) ALDH1A1NPC1RAB9AHPGDTP53
SCHEMBL10234004 0.85 NPC1 (0.42) ALDH1A1NPC1RAB9AHPGDTP53

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-8426495-B2 Radiation-curable ink composition for inkjet recording, inkjet recording method, and printed matter FUJIFILM CORPORATION (JP) 2013-04-23 — — US disclosed
US-20100221507-A1 RADIATION-CURABLE INK COMPOSITION FOR INKJET RECORDING, INKJET RECORDING METHOD, AND PRINTED MATTER FUJIFILM CORPORATION (JP) 2010-09-02 — — US disclosed
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