SCHEMBL12414818

SCHEMBL12414818

CCOC(=O)c1nc(C)n(C)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(C)=O)nc(C)n4C)c3N)ncn2)c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SLC34A1 Q06495 8/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 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
SCHEMBL10454158 0.96 MAPT (0.38) MAPTCYP1A2CYP2C19RECQLSMN1; SMN2
SCHEMBL14780842 0.84 MAPT (0.35) MAPTCYP1A2CYP2C19RECQLSMN1; SMN2
SCHEMBL9972796 0.79 NPC1 (0.47) MAPTCYP1A2CYP2C19RECQLSMN1; SMN2
SCHEMBL12506761 0.79 MAPT (0.32) MAPTCYP1A2CYP2C19RECQLSMN1; SMN2
SCHEMBL10454090 0.79 NPC1 (0.50) MAPTCYP1A2CYP2C19RECQLSMN1; SMN2
SCHEMBL10453870 0.75 MAPT (0.36) MAPTCYP1A2CYP2C19RECQLSMN1; SMN2
SCHEMBL9972799 0.73 RAB9A (0.36) MAPTCYP1A2CYP2C19RECQLSMN1; SMN2
SCHEMBL10453678 0.72 GAA (0.38) MAPTCYP1A2CYP2C19RECQLSMN1; SMN2
SCHEMBL10453830 0.71 HPGD (0.41) MAPTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL10453828 0.71 NPC1 (0.46) MAPTCYP1A2CYP2C19RECQLSMN1; SMN2

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-8399545-B2 Azo pigment-containing aqueous ink for inkjet recording FUJIFILM CORPORATION (JP) 2013-03-19 — — 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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