SCHEMBL13183216

SCHEMBL13183216

CCCc1nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)O)cnn4C)c3N)ncn2)c(N)c1/N=N/c1c(C(=O)O)cnn1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ NPC1 O15118 8/20 0.35
▸ RAB9A P51151 7/20 0.35
▸ SMN1; SMN2 Q16637 5/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.31
▸ GABRP O00591 1/20 0.31
▸ GABRD O14764 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRB1 P18505 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ GABRA2 P47869 1/20 0.31
▸ GABRB2 P47870 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
SCHEMBL10332107 0.91 MAPT (0.38) MAPTCYP1A2CYP2C19RECQLNPC1
SCHEMBL10332091 0.90 GABRP (0.39) MAPTCYP1A2CYP2C19RECQLNPC1
SCHEMBL13183855 0.87 NPC1 (0.37) MAPTCYP1A2CYP2C19RECQLNPC1
SCHEMBL16328107 0.85 NPC1 (0.43) MAPTCYP1A2CYP2C19RECQLNPC1
SCHEMBL4068931 0.84 MAPT (0.34) MAPTCYP1A2CYP2C19RECQLNPC1
SCHEMBL9972797 0.83 RAB9A (0.41) MAPTCYP1A2CYP2C19RECQLNPC1
SCHEMBL10135965 0.83 RAB9A (0.41) MAPTCYP1A2CYP2C19RECQLNPC1
SCHEMBL9972799 0.83 RAB9A (0.36) MAPTCYP1A2CYP2C19RECQLNPC1
SCHEMBL9974652 0.83 NPC1 (0.37) MAPTCYP1A2CYP2C19RECQLNPC1
SCHEMBL9974653 0.83 MAPT (0.34) MAPTCYP1A2CYP2C19RECQLNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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