SCHEMBL10331433

SCHEMBL10331433

COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2nc(-n3nc(C)c(/N=N/c4c(C(=O)CO)cnn4C)c3N)nc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)n2)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.38
▸ MEN1 O00255 3/20 0.34
▸ TSHR P16473 2/20 0.34
▸ NPC1 O15118 7/20 0.32
▸ RAB9A P51151 6/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 3/20 0.32
▸ SPR P35270 1/20 0.31
▸ MAPT P10636 7/20 0.31
▸ TDP1 Q9NUW8 3/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ ALOX12 P18054 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ LMNA P02545 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
SCHEMBL9972791 0.97 KMT2A (0.36) KMT2AMEN1TSHRNPC1RAB9A
SCHEMBL9972787 0.96 KMT2A (0.35) KMT2AMEN1TSHRNPC1RAB9A
SCHEMBL9972775 0.96 KMT2A (0.35) KMT2AMEN1TSHRNPC1RAB9A
SCHEMBL9972790 0.96 KMT2A (0.35) KMT2AMEN1TSHRNPC1RAB9A
SCHEMBL9972792 0.95 KMT2A (0.34) KMT2AMEN1TSHRNPC1RAB9A
SCHEMBL9972794 0.95 KMT2A (0.34) KMT2AMEN1TSHRNPC1RAB9A
SCHEMBL9972784 0.95 NPC1 (0.36) KMT2AMEN1TSHRNPC1RAB9A
SCHEMBL12766470 0.94 KMT2A (0.34) KMT2AMEN1TSHR
SCHEMBL12414823 0.92 KMT2A (0.34) KMT2AMEN1TSHR
SCHEMBL9972793 0.92 KMT2A (0.35) KMT2AMEN1TSHRNPC1RAB9A

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-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-20110021763-A1 AZO PIGMENTS, AND PIGMENT DISPERSION, COLORING COMPOSITION AND INK FOR INKJET RECORDING CONTAINING THE AZO PIGMENT FUJIFILM CORPORATION (JP) 2011-01-27 — — US disclosed
Send feedback