SCHEMBL22071699

SCHEMBL22071699

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.48
▸ USP2 O75604 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ CYP3A4 P08684 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ CASP1 P29466 2/20 0.48
▸ BRCA1 P38398 2/20 0.48
▸ RECQL P46063 2/20 0.48
▸ CASP7 P55210 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ TST Q16762 2/20 0.48
▸ HAT1 O14929 2/20 0.48
▸ RBBP7 Q16576 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HBB P68871 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP1A2 P05177 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
SCHEMBL22071702 0.91 MEN1 (0.48) MEN1USP2KMT2ACYP3A4KDM4E
SCHEMBL22071728 0.91 MEN1 (0.50) MEN1USP2KMT2ACYP3A4KDM4E
SCHEMBL22071751 0.86 CYP3A4 (0.53) MEN1USP2KMT2ACYP3A4KDM4E
SCHEMBL22071697 0.85 MEN1 (0.42) MEN1USP2KMT2ACYP3A4KDM4E
SCHEMBL22071725 0.84 MEN1 (0.52) MEN1USP2KMT2ACYP3A4KDM4E
SCHEMBL22071727 0.83 MEN1 (0.41) MEN1USP2KMT2ACYP3A4KDM4E
SCHEMBL22071696 0.83 KDM4E (0.40) MEN1USP2KMT2ACYP3A4KDM4E
SCHEMBL22071698 0.82 MEN1 (0.41) MEN1USP2KMT2ACYP3A4KDM4E
SCHEMBL22071695 0.81 KDM4E (0.39) MEN1USP2KMT2ACYP3A4KDM4E
SCHEMBL22071700 0.81 ESR1 (0.44) MEN1USP2KMT2ACYP3A4KDM4E

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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