SCHEMBL14845527

SCHEMBL14845527

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.36
▸ RAB9A P51151 7/20 0.36
▸ MAPT P10636 7/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TLR8 Q9NR97 2/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ KDM5A P29375 1/20 0.32
▸ KDM4C Q9H3R0 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
SCHEMBL16328735 0.96 MAPT (0.35) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL10167749 0.95 NPC1 (0.33) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL14845526 0.92 NPC1 (0.34) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL10456879 0.90 NPC1 (0.42) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL13183854 0.90 GABRP (0.38) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL14765505 0.89 NPC1 (0.34) NPC1RAB9AMAPTALDH1A1TLR8
SCHEMBL15160893 0.89 KDM5A (0.32) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL14765489 0.88 NPC1 (0.32) NPC1RAB9AMAPT
SCHEMBL14878323 0.87 KDM5A (0.33) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9974617 0.87 NPC1 (0.32) NPC1RAB9AMAPTSMN1; 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 8 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-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-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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