SCHEMBL10278308

SCHEMBL10278308

CCC(c1nn(-c2ccccn2)c(N)c1/N=N/c1c(C(=O)CO)cnn1C)c1nn(-c2ccccn2)c(N)c1/N=N/c1c(C(=O)OC)cnn1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.44
▸ RAB9A P51151 6/20 0.44
▸ HPGD P15428 4/20 0.44
▸ TP53 P04637 2/20 0.44
▸ MAPT P10636 7/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ PDE10A Q9Y233 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FPR1 P21462 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ RPS6KA5 O75582 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ INSR P06213 1/20 0.33
▸ ROS1 P08922 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PHKG2 P15735 1/20 0.33
▸ PRKACA P17612 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
SCHEMBL12946031 0.96 NPC1 (0.43) NPC1RAB9AHPGDTP53MAPT
SCHEMBL10234002 0.87 NPC1 (0.43) NPC1RAB9AHPGDTP53MAPT
SCHEMBL12912337 0.83 NPC1 (0.42) NPC1RAB9AHPGDTP53MAPT
SCHEMBL10453872 0.81 NPC1 (0.47) NPC1RAB9AHPGDTP53MAPT
SCHEMBL9972777 0.81 NPC1 (0.42) NPC1RAB9AHPGDTP53MAPT
SCHEMBL10331432 0.80 NPC1 (0.47) NPC1RAB9AHPGDTP53MAPT
SCHEMBL9972806 0.80 NPC1 (0.47) NPC1RAB9AHPGDTP53MAPT
SCHEMBL9972780 0.79 NPC1 (0.46) NPC1RAB9AHPGDTP53MAPT
SCHEMBL14780843 0.78 NPC1 (0.50) NPC1RAB9AHPGDTP53MAPT
SCHEMBL9972782 0.78 MAPT (0.36) NPC1RAB9AHPGDTP53MAPT

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-8222410-B2 Azo pigments, and pigment dispersion, coloring composition and ink for inkjet recording containing the azo pigment FUJIFILM CORPORATION (JP) 2012-07-17 — — US disclosed
US-20120165436-A1 PIGMENT DISPERSION CONTAINING AZO PIGMENT AND AQUEOUS INK FOR INKJET RECORDING USING THE SAME FUJIFILM CORPORATION (JP) 2012-06-28 — — US disclosed
US-20110166267-A1 AZO PIGMENT-CONTAINING AQUEOUS INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2011-07-07 — — US disclosed
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