SCHEMBL13869812

SCHEMBL13869812

COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2sc3c(c2c1=O)CCC(Br)C3=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 1/20 0.42
BLM P54132 1/20 0.42
GFER P55789 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GLA P06280 1/20 0.40
CDKN1A P38936 3/20 0.35
MAPK1 P28482 2/20 0.35
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 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
SCHEMBL2925396 0.91 MEN1 (0.42) RXFP1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL2917261 0.89 MAPT (0.43) RXFP1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL2926890 0.88 HSD11B1 (0.45) RXFP1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL2925815 0.86 HSD11B1 (0.48) RXFP1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL2922001 0.86 MAPT (0.41) RXFP1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL2921214 0.84 RXFP1 (0.50) RXFP1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL13869837 0.83 MAPT (0.41) RXFP1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL2920448 0.81 ALDH1A1 (0.48) RXFP1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL2926345 0.80 CDKN1A (0.56) RXFP1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL2924591 0.77 HSD11B1 (0.46) ALDH1A1MAPTKDM4EPOLBMEN1

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