SCHEMBL9974631

SCHEMBL9974631

CCCCc1nn(-c2ccnc(-n3nc(CCCC)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)n2)c(N)c1/N=N/c1c(C(=O)CO)cnn1C

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ AGTR1 P30556 1/20 0.30
▸ AGTR2 P50052 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
SCHEMBL14878323 0.95 KDM5A (0.33) KDM5AKDM4CKDM5BNPC1TP53
SCHEMBL9974622 0.90 NPC1 (0.33) NPC1RAB9AAGTR1AGTR2
SCHEMBL9974617 0.89 NPC1 (0.32) NPC1RAB9A
SCHEMBL9974630 0.89 KMT2A (0.31) —
SCHEMBL10167749 0.89 NPC1 (0.33) KDM5AKDM4CKDM5BNPC1TP53
SCHEMBL9974629 0.88 KMT2A (0.31) AGTR1AGTR2
SCHEMBL10167753 0.88 NPC1 (0.39) NPC1RAB9A
SCHEMBL9972786 0.88 NPC1 (0.33) NPC1TP53HPGDRAB9A
SCHEMBL9974628 0.87 NPC1 (0.31) NPC1RAB9AAGTR1AGTR2
SCHEMBL9974625 0.87 KMT2A (0.31) AGTR1AGTR2

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-20120165438-A1 AQUEOUS PIGMENT DISPERSION AND AQUEOUS INK FOR INK JET RECORDING FUJIFILM CORPORATION (JP) 2012-06-28 — — US disclosed
US-20120165437-A1 AQUEOUS PIGMENT DISPERSION AND AQUEOUS INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2012-06-28 — — US disclosed
US-20120156449-A1 INK SET, RECORDING METHOD, RECORDED MATERIAL AND PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2012-06-21 — — 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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