SCHEMBL22043473

SCHEMBL22043473

CCOC(=O)COc1ccc(-c2nc3cc(NC(=O)[C@H](C)Oc4cccc(Cl)c4Cl)ccc3o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 3/20 0.71
▸ KDM4E B2RXH2 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ ESR1 P03372 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55

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
SCHEMBL22043475 0.91 IMPDH2 (0.75) IMPDH2KDM4EUSP2ALDH1A1LMNA
SCHEMBL16939841 0.84 IMPDH2 (0.81) IMPDH2KDM4EUSP2ALDH1A1LMNA
SCHEMBL16939837 0.84 IMPDH2 (0.81) IMPDH2KDM4EUSP2ALDH1A1LMNA
SCHEMBL16939852 0.84 IMPDH2 (0.81) IMPDH2KDM4EUSP2ALDH1A1LMNA
SCHEMBL22043480 0.84 IMPDH2 (0.77) IMPDH2KDM4EUSP2ALDH1A1LMNA
SCHEMBL22043481 0.83 IMPDH2 (1.00) IMPDH2KDM4EUSP2ALDH1A1LMNA
SCHEMBL22043469 0.83 IMPDH2 (0.79) IMPDH2KDM4EUSP2ALDH1A1LMNA
SCHEMBL15597515 0.83 IMPDH2 (0.78) IMPDH2KDM4EUSP2ALDH1A1LMNA
SCHEMBL15597702 0.83 IMPDH2 (0.78) IMPDH2KDM4EUSP2ALDH1A1LMNA
SCHEMBL15597524 0.83 IMPDH2 (0.78) IMPDH2KDM4EUSP2ALDH1A1LMNA

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-2020112605-A1 COMPOUNDS AND METHODS FOR TREATING CHRONIC MICROBIAL INFECTIONS BRANDEIS UNIVERSITY (US) 2020-06-04 — — WO disclosed
Send feedback