SCHEMBL16328735

SCHEMBL16328735

CCCCc1nn(-c2ccc(-n3nc(CCCC)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)nn2)c(C)c1/N=N/c1c(C(=O)OC)cnn1C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.35
▸ NPC1 O15118 6/20 0.35
▸ RAB9A P51151 6/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HPGD P15428 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ TSHR P16473 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 4/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ TLR8 Q9NR97 2/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31

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
SCHEMBL14845527 0.96 NPC1 (0.36) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL10167749 0.91 NPC1 (0.33) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL14845526 0.88 NPC1 (0.34) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL10456879 0.86 NPC1 (0.42) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13183854 0.86 GABRP (0.38) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL14765505 0.85 NPC1 (0.34) MAPTNPC1RAB9AALDH1A1TSHR
SCHEMBL15160893 0.85 KDM5A (0.32) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14765489 0.84 NPC1 (0.32) MAPTNPC1RAB9A
SCHEMBL14878323 0.84 KDM5A (0.33) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL9974617 0.83 NPC1 (0.32) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8393725-B2 Ink set and image forming method FUJIFILM CORPORATION (JP) 2013-03-12 — — US disclosed
US-20110050789-A1 INK SET AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2011-03-03 — — US disclosed
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