SCHEMBL9259028

SCHEMBL9259028

Cc1[nH]c(C)c(-c2ccc(Cl)cc2Cl)c(=O)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
SLC2A1 P11166 1/20 0.40
HSD11B1 P28845 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
PSD A5PKW4 1/20 0.38
DPP4 P27487 1/20 0.37
BRD4 O60885 1/20 0.37
GUSB P08236 1/20 0.36
PTGS2 P35354 2/20 0.36
ALOX15 P16050 1/20 0.36
ALPL P05186 1/20 0.35

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
SCHEMBL9263799 0.81 SLC2A1 (0.59) KDM4ESLC2A1ALDH1A1MAPTMEN1
SCHEMBL9267776 0.80 SLC2A1 (0.57) KDM4ESLC2A1ALDH1A1MAPTMEN1
SCHEMBL9272741 0.77 MEN1 (0.45) KDM4ESLC2A1ALDH1A1MAPTMEN1
SCHEMBL9269675 0.75 KDM4E (0.50) KDM4EHSD11B1ALDH1A1MAPTMEN1
SCHEMBL4487870 0.74 SLC2A1 (0.40) KDM4ESLC2A1ALDH1A1MAPTMEN1
SCHEMBL9261054 0.74 SLC2A1 (0.74) SLC2A1ALDH1A1MAPTMEN1POLB
SCHEMBL9270873 0.74 SLC2A1 (0.51) KDM4ESLC2A1ALDH1A1MAPTMEN1
SCHEMBL9271041 0.72 SLC2A1 (0.50) SLC2A1MAPTMEN1HPGDKMT2A
SCHEMBL9267712 0.72 SLC2A1 (0.50) KDM4ESLC2A1ALDH1A1MEN1POLB
SCHEMBL9268614 0.72 SLC2A1 (0.56) SLC2A1MAPTBRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5403934-A Heterocyclic compounds BURROUGHS WELLCOME CO. (US) 1995-04-04 US disclosed
WO-1991013873-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-19 WO disclosed