SCHEMBL6092472

SCHEMBL6092472

CCOC(=O)c1c(-c2ccccc2Br)c(-c2ccc(F)cc2)c(C=O)n1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
ALOX12 P18054 1/20 0.43
CCR6 P51684 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
GAA P10253 1/20 0.39
CYP2C9 P11712 4/20 0.37
SIRT6 Q8N6T7 2/20 0.37
HMGCR P04035 2/20 0.37
ABCC3 O15438 1/20 0.37
ABCB11 O95342 1/20 0.37
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL6091508 0.90 MEN1 (0.44) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL5730836 0.88 ALDH1A1 (0.42) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL5731885 0.88 MAPT (0.42) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL6090595 0.86 HMGCR (0.43) KDM4EALDH1A1LMNACYP2C9SIRT6
SCHEMBL6090615 0.81 HMGCR (0.49) CYP2C9SIRT6HMGCRABCC3ABCB11
SCHEMBL6090758 0.80 KDM4E (0.46) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL5732032 0.79 MGLL (0.41) KDM4EMAPTKMT2ALMNACYP2C9
SCHEMBL6091718 0.77 HMGCR (0.41) KDM4EALDH1A1LMNACYP2C9SIRT6
SCHEMBL5731420 0.73 HMGCR (0.45) KDM4EALDH1A1LMNACYP2C9SIRT6
SCHEMBL6091284 0.72 HMGCR (0.50) HMGCR

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-2006059210-A2 FUSED BICYCLIC PYRROLS AS HMG-COA REDUCTASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2006-06-08 WO disclosed