SCHEMBL10331432

SCHEMBL10331432

COC(=O)c1cnn(-c2cc(-n3ncc(C(=O)CO)c3/N=N/c3c(C)nn(-c4ccccn4)c3N)ncn2)c1/N=N/c1c(C)nn(-c2ccccn2)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ HPGD P15428 4/20 0.47
▸ TP53 P04637 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 9/20 0.44
▸ LMNA P02545 2/20 0.42
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MAPK14 Q16539 2/20 0.35
▸ SPR P35270 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL9972806 1.00 NPC1 (0.47) NPC1RAB9AHPGDTP53ALDH1A1
SCHEMBL10234004 0.95 NPC1 (0.42) NPC1RAB9AHPGDTP53ALDH1A1
SCHEMBL10453865 0.94 NPC1 (0.49) NPC1RAB9AHPGDTP53ALDH1A1
SCHEMBL10453727 0.94 NPC1 (0.49) NPC1RAB9AHPGDTP53ALDH1A1
SCHEMBL9972808 0.91 NPC1 (0.43) NPC1RAB9AHPGDTP53ALDH1A1
SCHEMBL10136044 0.91 RAB9A (0.48) NPC1RAB9AHPGDTP53ALDH1A1
SCHEMBL13159987 0.90 ALDH1A1 (0.45) NPC1RAB9AHPGDTP53ALDH1A1
SCHEMBL9972807 0.90 NPC1 (0.40) NPC1RAB9AHPGDTP53ALDH1A1
SCHEMBL10136050 0.89 RAB9A (0.44) NPC1RAB9AHPGDTP53ALDH1A1
SCHEMBL4068359 0.87 NPC1 (0.42) NPC1RAB9AHPGDTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399545-B2 Azo pigment-containing aqueous ink for inkjet recording FUJIFILM CORPORATION (JP) 2013-03-19 — — US disclosed
US-8222410-B2 Azo pigments, and pigment dispersion, coloring composition and ink for inkjet recording containing the azo pigment FUJIFILM CORPORATION (JP) 2012-07-17 — — US disclosed
US-20110166267-A1 AZO PIGMENT-CONTAINING AQUEOUS INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2011-07-07 — — US disclosed
US-20110021763-A1 AZO PIGMENTS, AND PIGMENT DISPERSION, COLORING COMPOSITION AND INK FOR INKJET RECORDING CONTAINING THE AZO PIGMENT FUJIFILM CORPORATION (JP) 2011-01-27 — — US disclosed
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