SCHEMBL14845499

SCHEMBL14845499

CCCCc1nn(-c2nc(O)nc(-n3nc(CCCC)c(/N=N/c4c(C(=O)OC)cnn4-c4ccccc4)c3N)n2)c(N)c1/N=N/c1c(C(=O)OC)cnn1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MAPK14 Q16539 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ GPR35 Q9HC97 3/20 0.36
▸ GPR55 Q9Y2T6 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ POLB P06746 1/20 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
SCHEMBL16328750 0.96 ALDH1A1 (0.37) ALDH1A1HPGDMAPK14MAPTGAA
SCHEMBL10167743 0.95 ALDH1A1 (0.37) ALDH1A1HPGDMAPK14MAPTGAA
SCHEMBL10332023 0.92 NR4A3 (0.39) ALDH1A1HPGDMAPK14NPC1RAB9A
SCHEMBL14765503 0.88 KMT2A (0.33) NPC1RAB9ATSHR
SCHEMBL10454139 0.86 HPGD (0.46) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL15457603 0.85 NPC1 (0.48) ALDH1A1HPGDMAPK14MAPTGAA
SCHEMBL14191656 0.83 GAA (0.38) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL9974619 0.83 KMT2A (0.31) —
SCHEMBL9972805 0.82 HPGD (0.41) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL10167744 0.82 NPC1 (0.44) ALDH1A1HPGDMAPK14MAPTGAA

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 7 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-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-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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