SCHEMBL12838051

SCHEMBL12838051

CCCCc1nn(-c2cc(-n3nc(CCCC)c(/N=N/c4c(C(=O)N(N)N)cnn4C)c3N)ncn2)c(N)c1/N=N/c1c(C(N)=O)cnn1C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MAPT P10636 3/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL9974652 0.94 NPC1 (0.37) NPC1RAB9AMAPTCYP1A2CYP2C19
SCHEMBL13183855 0.91 NPC1 (0.37) NPC1RAB9AMAPTCYP1A2CYP2C19
SCHEMBL9974649 0.90 MAPT (0.33) NPC1RAB9AMAPTCYP1A2CYP2C19
SCHEMBL9974655 0.88 NPC1 (0.40) NPC1RAB9AMAPTCYP1A2CYP2C19
SCHEMBL9974653 0.87 MAPT (0.34) NPC1RAB9AMAPTCYP1A2CYP2C19
SCHEMBL10332091 0.87 GABRP (0.39) NPC1RAB9AMAPTCYP1A2CYP2C19
SCHEMBL12766467 0.85 NPC1 (0.37) NPC1RAB9AMAPTCYP1A2CYP2C19
SCHEMBL9974648 0.84 MAPT (0.33) NPC1RAB9AMAPTCYP1A2CYP2C19
SCHEMBL10456879 0.84 NPC1 (0.42) NPC1RAB9AMAPTCYP1A2CYP2C19
SCHEMBL14548633 0.84 NPC1 (0.46) NPC1RAB9AMAPTCYP1A2CYP2C19

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-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
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