SCHEMBL22072071

SCHEMBL22072071

Cc1cc2nc(-c3nncn3C)c(=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.58
▸ MEN1 O00255 5/20 0.58
▸ KMT2A Q03164 5/20 0.58
▸ TDP1 Q9NUW8 5/20 0.58
▸ USP2 O75604 4/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ HTT P42858 3/20 0.58
▸ CASP1 P29466 2/20 0.58
▸ BRCA1 P38398 2/20 0.58
▸ RECQL P46063 2/20 0.58
▸ CASP7 P55210 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ HAT1 O14929 2/20 0.58
▸ RBBP7 Q16576 2/20 0.58
▸ TST Q16762 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ HPGD P15428 2/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ HBB P68871 1/20 0.58

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
SCHEMBL22071738 0.86 MEN1 (0.58) KDM4EMEN1KMT2ATDP1USP2
SCHEMBL22072136 0.84 MEN1 (0.58) KDM4EMEN1KMT2ATDP1USP2
SCHEMBL22071747 0.83 MEN1 (0.57) KDM4EMEN1KMT2ATDP1USP2
SCHEMBL22072060 0.81 MEN1 (0.56) KDM4EMEN1KMT2ATDP1USP2
SCHEMBL22072056 0.81 KDM4E (0.57) KDM4EMEN1KMT2ATDP1USP2
SCHEMBL30935958 0.80 MEN1 (0.67) KDM4EMEN1KMT2ATDP1USP2
SCHEMBL22072067 0.79 MEN1 (0.56) KDM4EMEN1KMT2ATDP1USP2
SCHEMBL22071719 0.79 MEN1 (0.60) KDM4EMEN1KMT2ATDP1USP2
SCHEMBL22072066 0.79 MEN1 (0.55) KDM4EMEN1KMT2ATDP1USP2
SCHEMBL22072101 0.78 KDM4E (0.56) KDM4EMEN1KMT2ATDP1USP2

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
WO-2020117974-A1 COMPOUNDS AND COMPOSITIONS FOR EYE TREATMENTS AVEDRO, INC. (US) 2020-06-11 — — WO disclosed
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