SCHEMBL14548632

SCHEMBL14548632

CCCCc1nn(-c2nc(OC)nc(-n3nc(CCCC)c(/N=N/c4c(C(=O)OCC)cnn4C)c3N)n2)c(N)c1/N=N/c1c(C(=O)OCC)cnn1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 6/20 0.39
▸ RAB9A P51151 6/20 0.39
▸ HSP90AA1 P07900 1/20 0.37
▸ MAPT P10636 5/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ HPGD P15428 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.35

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
SCHEMBL10206859 0.94 TSHR (0.37) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL14765506 0.93 KMT2A (0.33) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL9974625 0.89 KMT2A (0.31) KMT2A
SCHEMBL10454196 0.88 TSHR (0.45) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL14765508 0.87 KMT2A (0.34) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL14765503 0.86 KMT2A (0.33) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL14765507 0.85 KMT2A (0.32) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL14765509 0.85 KMT2A (0.32) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL9972813 0.84 TSHR (0.42) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL14765502 0.84 NPC1 (0.36) TSHRKMT2AMEN1NPC1RAB9A

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 10 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
EP-2370530-B1 INK SET, RECORDED MATERIAL AND PRINTED MATERIAL FUJIFILM CORP (JP) 2014-02-12 — — EP 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-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-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
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