SCHEMBL22071695

SCHEMBL22071695

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ USP2 O75604 2/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ BRCA1 P38398 2/20 0.39
▸ RECQL P46063 2/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TST Q16762 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HBB P68871 1/20 0.39
▸ HAT1 O14929 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL22071696 0.91 KDM4E (0.40) KDM4EMEN1USP2CASP1BRCA1
SCHEMBL22071697 0.91 MEN1 (0.42) KDM4EMEN1USP2CASP1BRCA1
SCHEMBL22071728 0.90 MEN1 (0.50) KDM4EMEN1USP2CASP1BRCA1
SCHEMBL22071727 0.89 MEN1 (0.41) KDM4EMEN1USP2CASP1BRCA1
SCHEMBL22072088 0.87 POLB (0.38) KDM4ECASP1HSD17B10HTTMAPT
SCHEMBL22071698 0.86 MEN1 (0.41) KDM4EMEN1USP2CASP1BRCA1
SCHEMBL22071699 0.81 MEN1 (0.48) KDM4EMEN1USP2CASP1BRCA1
SCHEMBL22072087 0.80 POLB (0.43) KDM4EHSD17B10HTTMAPTLMNA
SCHEMBL22071751 0.80 CYP3A4 (0.53) KDM4EMEN1USP2CASP1BRCA1
SCHEMBL22071741 0.78 POLB (0.54) KDM4EHSD17B10HTTMAPTALDH1A1

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
Send feedback