SCHEMBL14548633

SCHEMBL14548633

CCCCc1nn(-c2cc(-n3nc(CCCC)c(/N=N/c4c(C(=O)OCC)cnn4C)c3N)ncn2)c(N)c1/N=N/c1c(C(=O)OCC)cnn1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.46
▸ RAB9A P51151 7/20 0.46
▸ MAPT P10636 8/20 0.45
▸ CYP2C19 P33261 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ RECQL P46063 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37

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
SCHEMBL14548543 0.94 NPC1 (0.39) NPC1RAB9AMAPTCYP2C19CYP1A2
SCHEMBL10206865 0.94 NPC1 (0.41) NPC1RAB9AMAPTCYP2C19CYP1A2
SCHEMBL10456879 0.92 NPC1 (0.42) NPC1RAB9AMAPTCYP2C19CYP1A2
SCHEMBL9974653 0.89 MAPT (0.34) NPC1RAB9AMAPTCYP2C19CYP1A2
SCHEMBL9974652 0.89 NPC1 (0.37) NPC1RAB9AMAPTCYP2C19CYP1A2
SCHEMBL10332091 0.89 GABRP (0.39) NPC1RAB9AMAPTCYP2C19CYP1A2
SCHEMBL9974655 0.89 NPC1 (0.40) NPC1RAB9AMAPTCYP2C19CYP1A2
SCHEMBL10167753 0.88 NPC1 (0.39) NPC1RAB9AMAPTCYP2C19CYP1A2
SCHEMBL10454090 0.87 NPC1 (0.50) NPC1RAB9AMAPTCYP2C19CYP1A2
SCHEMBL9974648 0.87 MAPT (0.33) NPC1RAB9AMAPTCYP2C19CYP1A2

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 12 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-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-8426495-B2 Radiation-curable ink composition for inkjet recording, inkjet recording method, and printed matter FUJIFILM CORPORATION (JP) 2013-04-23 — — 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-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-20110205289-A1 INK COMPOSITION, INK SET AND IMAGE FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2011-08-25 — — 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
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