SCHEMBL10206859

SCHEMBL10206859

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 6/20 0.35
▸ RAB9A P51151 6/20 0.35
▸ MAPT P10636 6/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL14548632 0.94 TSHR (0.41) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL14765506 0.87 KMT2A (0.33) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL9974656 0.87 — —
SCHEMBL10206865 0.86 NPC1 (0.41) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL9974625 0.83 KMT2A (0.31) KMT2A
SCHEMBL10454196 0.82 TSHR (0.45) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL16328161 0.82 KMT2A (0.32) TSHRKMT2AMEN1
SCHEMBL14765508 0.82 KMT2A (0.34) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL14765503 0.81 KMT2A (0.33) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL14765509 0.80 KMT2A (0.32) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120156449-A1 INK SET, RECORDING METHOD, RECORDED MATERIAL AND PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2012-06-21 — — US disclosed
US-20110050784-A1 AQUEOUS INK COMPOSITION FOR INKJET RECORDING AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2011-03-03 — — US disclosed
US-20100240812-A1 OIL-BASED INKJET RECORDING INK FUJIFILM CORPORATION (JP) 2010-09-23 — — US disclosed
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