SCHEMBL22071729

SCHEMBL22071729

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ USP2 O75604 4/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ MAPT P10636 4/20 0.53
▸ HAT1 O14929 3/20 0.53
▸ RBBP7 Q16576 3/20 0.53
▸ HTT P42858 3/20 0.53
▸ CASP1 P29466 2/20 0.53
▸ BRCA1 P38398 2/20 0.53
▸ RECQL P46063 2/20 0.53
▸ CASP7 P55210 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ TST Q16762 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ HBB P68871 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53

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
SCHEMBL22071680 0.92 MEN1 (0.55) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL22071669 0.92 MEN1 (0.55) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL22071725 0.90 MEN1 (0.52) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL22071681 0.89 USP2 (0.56) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL22071673 0.89 USP2 (0.56) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL22071682 0.86 KMT2A (0.58) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL22071670 0.86 KMT2A (0.58) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL30621225 0.86 KMT2A (0.58) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL22071679 0.85 MEN1 (0.59) MEN1KMT2AUSP2KDM4EMAPT
SCHEMBL16239990 0.85 MEN1 (0.59) MEN1KMT2AUSP2KDM4EMAPT

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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