SCHEMBL10167753

SCHEMBL10167753

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 4/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL10167755 0.95 NPC1 (0.40) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10456879 0.95 NPC1 (0.42) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL9974617 0.94 NPC1 (0.32) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL9974655 0.92 NPC1 (0.40) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL9974628 0.91 NPC1 (0.31) NPC1RAB9AMAPT
SCHEMBL9974622 0.91 NPC1 (0.33) NPC1RAB9AALDH1A1
SCHEMBL10167749 0.91 NPC1 (0.33) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL16328107 0.90 NPC1 (0.43) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL12361584 0.90 NPC1 (0.33) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10167744 0.89 NPC1 (0.44) 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-8328344-B2 Aqueous ink composition for inkjet recording and image forming method FUJIFILM CORPORATION (JP) 2012-12-11 — — US disclosed
US-20120165438-A1 AQUEOUS PIGMENT DISPERSION AND AQUEOUS INK FOR INK JET RECORDING FUJIFILM CORPORATION (JP) 2012-06-28 — — US disclosed
US-20120165437-A1 AQUEOUS PIGMENT DISPERSION AND AQUEOUS INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2012-06-28 — — US disclosed
US-20110050784-A1 AQUEOUS INK COMPOSITION FOR INKJET RECORDING AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2011-03-03 — — US disclosed
US-20100240812-A1 OIL-BASED INKJET RECORDING INK FUJIFILM CORPORATION (JP) 2010-09-23 — — US disclosed
US-20100221506-A1 RADIATION-CURABLE INK COMPOSITION FOR INKJET RECORDING,INKJET RECORDING METHOD, AND PRINTED MATTER FUJIFILM CORPORATION (JP) 2010-09-02 — — US disclosed
US-20100221507-A1 RADIATION-CURABLE INK COMPOSITION FOR INKJET RECORDING, INKJET RECORDING METHOD, AND PRINTED MATTER FUJIFILM CORPORATION (JP) 2010-09-02 — — US disclosed
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