SCHEMBL14765358

SCHEMBL14765358

Cc1nn(-c2cc(O)nc(-n3nc(C)c(/N=N/c4c(C(=O)CO)cnn4C)c3N)n2)c(N)c1/N=N/c1c(C(=O)CO)cnn1C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ NPC1 O15118 4/20 0.32
▸ MAPT P10636 3/20 0.32
▸ RAB9A P51151 3/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 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
SCHEMBL9972793 0.94 KMT2A (0.35) TSHRMEN1KMT2ANPC1MAPT
SCHEMBL10172914 0.94 — —
SCHEMBL12766468 0.86 KMT2A (0.31) KMT2A
SCHEMBL9972789 0.85 NPC1 (0.34) TSHRMEN1KMT2ANPC1MAPT
SCHEMBL10331433 0.84 KMT2A (0.38) TSHRMEN1KMT2ANPC1MAPT
SCHEMBL9972787 0.83 KMT2A (0.35) TSHRMEN1KMT2ANPC1RAB9A
SCHEMBL12759198 0.83 NPC1 (0.34) TSHRMEN1KMT2ANPC1MAPT
SCHEMBL10453862 0.82 KMT2A (0.35) TSHRMEN1KMT2ANPC1MAPT
SCHEMBL9972791 0.82 KMT2A (0.36) TSHRMEN1KMT2ANPC1MAPT
SCHEMBL9974630 0.81 KMT2A (0.31) TSHRMEN1KMT2A

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-8393725-B2 Ink set and image forming method FUJIFILM CORPORATION (JP) 2013-03-12 — — US disclosed
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