SCHEMBL22071676

SCHEMBL22071676

Cc1cc2nc(C(=O)O)c(=O)n(CC(O)C(O)C(O)CO)c2cc1N(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.48
▸ USP2 O75604 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ CASP1 P29466 3/20 0.48
▸ CASP7 P55210 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ BRCA1 P38398 2/20 0.48
▸ RECQL P46063 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ HAT1 O14929 2/20 0.48
▸ RBBP7 Q16576 2/20 0.48
▸ TST Q16762 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ HBB P68871 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48

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
SCHEMBL22071674 1.00 MEN1 (0.48) MEN1USP2KMT2ACASP1CASP7
SCHEMBL22071679 0.89 MEN1 (0.59) MEN1USP2KMT2ACASP1CASP7
SCHEMBL16239990 0.89 MEN1 (0.59) MEN1USP2KMT2ACASP1CASP7
SCHEMBL22072072 0.89 MEN1 (0.46) MEN1USP2KMT2ACASP1CASP7
Water SCHEMBL16240843 0.88 MEN1 (0.58) MEN1USP2KMT2ACASP1CASP7
SCHEMBL22071721 0.83 KDM4E (0.47) MEN1USP2KMT2ACASP1CASP7
SCHEMBL30621225 0.80 KMT2A (0.58) MEN1USP2KMT2ACASP1CASP7
SCHEMBL22071670 0.80 KMT2A (0.58) MEN1USP2KMT2ACASP1CASP7
SCHEMBL22071682 0.80 KMT2A (0.58) MEN1USP2KMT2ACASP1CASP7
SCHEMBL22071681 0.78 USP2 (0.56) MEN1USP2KMT2ACASP1CASP7

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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