SCHEMBL14845502

SCHEMBL14845502

CCCCc1nn(-c2cc(-n3nc(CCCC)c(/N=N/c4c(C(=O)OC)cnn4-c4nc5ccccc5s4)c3N)ncn2)c(N)c1/N=N/c1c(C(=O)OC)cnn1-c1nc2ccccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.41
▸ RAB9A P51151 6/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 8/20 0.38
▸ LMNA P02545 5/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ DUSP3 P51452 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ NCOA2 Q15596 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ HTT P42858 2/20 0.34
▸ PLA2G2A P14555 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9974658 0.96 NPC1 (0.39) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10454125 0.87 NPC1 (0.45) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL15457603 0.86 NPC1 (0.48) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL16063431 0.85 NPC1 (0.47) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL14845503 0.84 NPC1 (0.39) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL9972812 0.84 NPC1 (0.41) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL14845501 0.84 NPC1 (0.38) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10456879 0.83 NPC1 (0.42) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10167744 0.83 NPC1 (0.44) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10167891 0.81 MAPT (0.36) NPC1RAB9AALDH1A1MAPTLMNA

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
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-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-20110050790-A1 INK SET AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2011-03-03 — — US disclosed
Send feedback