SCHEMBL9972795

SCHEMBL9972795

COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2nnc(-n3nc(C)c(/N=N/c4c(C(=O)CO)cnn4C)c3N)s2)c1N

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ MAPT P10636 2/20 0.30
▸ PPARG P37231 1/20 0.30
▸ NCOA2 Q15596 1/20 0.30
▸ NCOA1 Q15788 1/20 0.30
▸ NCOA3 Q9Y6Q9 1/20 0.30

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
SCHEMBL10452777 0.94 NPC1 (0.35) NPC1RAB9AKMT2ACYP1A2CYP3A4
SCHEMBL9972782 0.88 MAPT (0.36) NPC1RAB9AKMT2ACYP1A2CYP3A4
SCHEMBL10331433 0.88 KMT2A (0.38) NPC1RAB9AKMT2ACYP1A2CYP3A4
SCHEMBL13161110 0.88 NPC1 (0.32) NPC1RAB9AKMT2ACYP1A2CYP3A4
SCHEMBL9974624 0.87 — —
SCHEMBL9972791 0.86 KMT2A (0.36) NPC1RAB9AKMT2ACYP1A2CYP3A4
SCHEMBL9972776 0.86 NPC1 (0.42) NPC1RAB9AKMT2ACYP1A2CYP3A4
SCHEMBL4068359 0.86 NPC1 (0.42) NPC1RAB9AKMT2ACYP1A2CYP3A4
SCHEMBL13159983 0.85 MAPT (0.31) NPC1RAB9AMAPTPPARGNCOA2
SCHEMBL12759170 0.85 MAPT (0.34) NPC1RAB9AKMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8641785-B2 Aqueous pigment dispersion and aqueous ink for inkjet recording FUJIFILM CORPORATION (JP) 2014-02-04 — — US disclosed
US-8580025-B2 Ink set, recording method, recorded material and printed material FUJIFILM CORPORATION (JP) 2013-11-12 — — US disclosed
US-8500897-B2 Ink set, recorded material and printed material FUJIFILM CORPORATION (JP) 2013-08-06 — — US disclosed
US-8399545-B2 Azo pigment-containing aqueous ink for inkjet recording FUJIFILM CORPORATION (JP) 2013-03-19 — — US disclosed
US-8393725-B2 Ink set and image forming method FUJIFILM CORPORATION (JP) 2013-03-12 — — US disclosed
US-8348408-B2 Ink set and image forming method FUJIFILM CORPORATION (JP) 2013-01-08 — — US disclosed
US-8328344-B2 Aqueous ink composition for inkjet recording and image forming method FUJIFILM CORPORATION (JP) 2012-12-11 — — 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-20120165437-A1 AQUEOUS PIGMENT DISPERSION AND AQUEOUS INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2012-06-28 — — US disclosed
US-20120165438-A1 AQUEOUS PIGMENT DISPERSION AND AQUEOUS INK FOR INK JET RECORDING FUJIFILM CORPORATION (JP) 2012-06-28 — — US disclosed
US-20120165436-A1 PIGMENT DISPERSION CONTAINING AZO PIGMENT AND AQUEOUS INK FOR INKJET RECORDING USING THE SAME FUJIFILM CORPORATION (JP) 2012-06-28 — — US disclosed
US-20120156449-A1 INK SET, RECORDING METHOD, RECORDED MATERIAL AND PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2012-06-21 — — US disclosed
US-20110205289-A1 INK COMPOSITION, INK SET AND IMAGE FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2011-08-25 — — US disclosed
US-20110166267-A1 AZO PIGMENT-CONTAINING AQUEOUS INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2011-07-07 — — US disclosed
US-20110050790-A1 INK SET AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2011-03-03 — — US disclosed
US-20110050789-A1 INK SET AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2011-03-03 — — US disclosed
US-20110050784-A1 AQUEOUS INK COMPOSITION FOR INKJET RECORDING AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2011-03-03 — — 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
Send feedback