SCHEMBL10167749

SCHEMBL10167749

CCCCc1nn(-c2ccc(-n3nc(CCCC)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)nn2)c(N)c1/N=N/c1c(C(=O)CO)cnn1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.33
▸ MAPT P10636 5/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ AGTR1 P30556 1/20 0.31
▸ AGTR2 P50052 1/20 0.31
▸ TLR8 Q9NR97 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ CYP1A2 P05177 2/20 0.30
▸ CYP2C19 P33261 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30

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
SCHEMBL14845527 0.95 NPC1 (0.36) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL9974617 0.93 NPC1 (0.32) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL10167753 0.91 NPC1 (0.39) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL16328735 0.91 MAPT (0.35) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL13168042 0.91 GABRP (0.35) NPC1MAPTRAB9ASMN1; SMN2AGTR1
SCHEMBL9974628 0.90 NPC1 (0.31) NPC1MAPTRAB9AAGTR1AGTR2
SCHEMBL9974624 0.89 — —
SCHEMBL9974631 0.89 KDM5A (0.31) NPC1RAB9ATP53HPGDAGTR1
SCHEMBL9974629 0.88 KMT2A (0.31) AGTR1AGTR2TSHRKMT2AMEN1
SCHEMBL9974630 0.88 KMT2A (0.31) TSHRKMT2AMEN1

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-8399545-B2 Azo pigment-containing aqueous ink for inkjet recording FUJIFILM CORPORATION (JP) 2013-03-19 — — US disclosed
US-20120165437-A1 AQUEOUS PIGMENT DISPERSION AND AQUEOUS INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2012-06-28 — — US disclosed
US-20120165438-A1 AQUEOUS PIGMENT DISPERSION AND AQUEOUS INK FOR INK JET RECORDING FUJIFILM CORPORATION (JP) 2012-06-28 — — 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
US-20100221507-A1 RADIATION-CURABLE INK COMPOSITION FOR INKJET RECORDING, INKJET RECORDING METHOD, AND PRINTED MATTER FUJIFILM CORPORATION (JP) 2010-09-02 — — US disclosed
US-20100222472-A1 WATER-BASED INK COMPOSITION FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2010-09-02 — — US disclosed
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