SCHEMBL10453865

SCHEMBL10453865

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 7/20 0.49
▸ HPGD P15428 4/20 0.49
▸ TP53 P04637 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ MAPK14 Q16539 2/20 0.38
▸ SPR P35270 3/20 0.37
▸ PLK4 O00444 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ RPS6KA5 O75582 1/20 0.36

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 1.00 NPC1 (0.49) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL13159987 0.95 ALDH1A1 (0.45) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL10331432 0.94 NPC1 (0.47) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL9972806 0.94 NPC1 (0.47) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL10234007 0.90 NPC1 (0.52) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL10453869 0.90 NPC1 (0.47) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL10234004 0.90 NPC1 (0.42) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL16329556 0.89 RAB9A (0.53) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL10453867 0.89 NPC1 (0.44) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL16063431 0.86 NPC1 (0.47) NPC1RAB9AALDH1A1MAPTHPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835531-B2 Water-based ink composition for inkjet recording FUJIFILM CORPORATION (JP) 2014-09-16 — — US disclosed
US-8415409-B2 Radiation-curable ink composition for inkjet recording, inkjet recording method, and printed matter FUJIFILM CORPORATION (JP) 2013-04-09 — — US disclosed
US-8393725-B2 Ink set and image forming method FUJIFILM CORPORATION (JP) 2013-03-12 — — US disclosed
US-8222326-B2 Water-based ink composition for inkjet recording FUJIFILM CORPORATION (JP) 2012-07-17 — — US disclosed
US-20100240812-A1 OIL-BASED INKJET RECORDING INK FUJIFILM CORPORATION (JP) 2010-09-23 — — US disclosed
US-20100221506-A1 RADIATION-CURABLE INK COMPOSITION FOR INKJET RECORDING,INKJET RECORDING METHOD, AND PRINTED MATTER FUJIFILM CORPORATION (JP) 2010-09-02 — — US disclosed
US-20100222472-A1 WATER-BASED INK COMPOSITION FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2010-09-02 — — US disclosed
US-20100160504-A1 WATER-BASED INK COMPOSITION FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2010-06-24 — — US disclosed
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