SCHEMBL16063431

SCHEMBL16063431

CCCCc1nn(-c2cc(-n3nc(CCCC)c(/N=N/c4c(C(=O)OC)cnn4-c4ccccn4)c3N)ncn2)c(N)c1/N=N/c1c(C(=O)OC)cnn1-c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 7/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ PTGS2 P35354 1/20 0.35
▸ MAPK14 Q16539 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C1 Q04828 1/20 0.34
▸ FPR1 P21462 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
SCHEMBL15457603 0.91 NPC1 (0.48) NPC1RAB9ATP53HPGDALDH1A1
SCHEMBL10456879 0.87 NPC1 (0.42) NPC1RAB9ATP53HPGDALDH1A1
SCHEMBL10167744 0.86 NPC1 (0.44) NPC1RAB9ATP53HPGDALDH1A1
SCHEMBL10453727 0.86 NPC1 (0.49) NPC1RAB9ATP53HPGDALDH1A1
SCHEMBL10453865 0.86 NPC1 (0.49) NPC1RAB9ATP53HPGDALDH1A1
SCHEMBL10453872 0.86 NPC1 (0.47) NPC1RAB9ATP53HPGDALDH1A1
SCHEMBL14845502 0.85 NPC1 (0.41) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL9974655 0.84 NPC1 (0.40) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL14845503 0.84 NPC1 (0.39) NPC1RAB9ATP53HPGDALDH1A1
SCHEMBL14845501 0.83 NPC1 (0.38) NPC1RAB9ATP53HPGDALDH1A1

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 5 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-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-20110050789-A1 INK SET AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2011-03-03 — — US disclosed
US-20110050790-A1 INK SET AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2011-03-03 — — US disclosed
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