SCHEMBL10136044

SCHEMBL10136044

COC(=O)c1cnn(-c2ccccc2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)CO)cnn4-c4ccccc4)c3N)ncn2)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.48
▸ NPC1 O15118 9/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPT P10636 10/20 0.44
▸ LMNA P02545 3/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ HPGD P15428 5/20 0.41
▸ SMN1; SMN2 Q16637 7/20 0.40
▸ TDP1 Q9NUW8 5/20 0.40
▸ MAPK1 P28482 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL10136050 0.95 RAB9A (0.44) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL16329556 0.94 RAB9A (0.53) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL9972806 0.91 NPC1 (0.47) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL10331432 0.91 NPC1 (0.47) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL9972808 0.89 NPC1 (0.43) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL4068359 0.88 NPC1 (0.42) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL9972776 0.88 NPC1 (0.42) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL10167744 0.88 NPC1 (0.44) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL9972812 0.86 NPC1 (0.41) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL9972807 0.86 NPC1 (0.40) RAB9ANPC1ALDH1A1MAPTLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8641785-B2 Aqueous pigment dispersion and aqueous ink for inkjet recording FUJIFILM CORPORATION (JP) 2014-02-04 — — US disclosed
US-20120165437-A1 AQUEOUS PIGMENT DISPERSION AND AQUEOUS INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2012-06-28 — — US disclosed
US-20110205289-A1 INK COMPOSITION, INK SET AND IMAGE FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2011-08-25 — — US disclosed
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