SCHEMBL14765183

SCHEMBL14765183

CCCCOC(=O)n1nc(-c2ccc(F)cc2)c2cc(Br)ccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
LMNA P02545 2/20 0.41
ELANE P08246 7/20 0.40
IDO1 P14902 2/20 0.38
EGFR P00533 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SMPD1 P17405 1/20 0.36
ASAH1 Q13510 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
KMT2A Q03164 1/20 0.34
CNR1 P21554 1/20 0.34
MAPT P10636 1/20 0.34
CASR P41180 1/20 0.34

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
SCHEMBL14764815 0.81 MAP2K4 (0.51) ELANEIDO1
SCHEMBL4782417 0.72 ATM (0.46) ATMLMNAELANEALDH1A1ASAH1
SCHEMBL2304878 0.70 ELANE (0.55) ATMLMNAELANEALDH1A1MAPT
SCHEMBL30910158 0.69 ALDH1A1 (0.40) ELANEEGFRALDH1A1KDM4EKMT2A
SCHEMBL30204980 0.69 MAPT (0.42) ATMLMNAKMT2ACNR1MAPT
SCHEMBL3635142 0.69 MAP2K4 (0.55) ELANEKDM4EKMT2AMAPT
SCHEMBL2731864 0.68 MAP2K4 (0.49) ELANEKMT2A
SCHEMBL2300687 0.68 ELANE (0.53) ATMLMNAELANEALDH1A1MAPT
SCHEMBL27788236 0.67 ELANE (0.48) ATMELANEKDM4EKMT2AMAPT
SCHEMBL30910159 0.67 HRH2 (0.38) ALDH1A1KDM4EKMT2AMAPT

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-2013033899-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 WO disclosed