SCHEMBL13869788

SCHEMBL13869788

CCCc1nc2sc3c(c2c(=O)n1Cc1cc(Br)ccc1OC)CCC(Br)C3=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 3/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
BLM P54132 1/20 0.40
GFER P55789 1/20 0.40
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 2/20 0.34
P2RX3 P56373 3/20 0.34
USP2 O75604 2/20 0.33
PKM P14618 2/20 0.33

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
SCHEMBL2925516 0.89 MEN1 (0.45) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL2917255 0.85 MAPT (0.38) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL2918293 0.79 MAPT (0.43) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL13869790 0.76 HSD11B1 (0.52) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL13869793 0.75 MAPT (0.44) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL2926746 0.74 MEN1 (0.48) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL2925396 0.71 MEN1 (0.42) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL2917261 0.71 MAPT (0.43) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL2922001 0.70 MAPT (0.41) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL2924591 0.70 HSD11B1 (0.46) MEN1KMT2ATDP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 US disclosed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 US disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US disclosed