SCHEMBL8558669

SCHEMBL8558669

O=S(=O)(Nc1nc(CSc2ccccc2)oc1-c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
HSD11B1 P28845 2/20 0.40
KDM4E B2RXH2 6/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTPN5 P54829 1/20 0.39

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
SCHEMBL8560630 0.82 MAPT (0.49) TSHRHSD11B1KDM4ENPSR1RXFP1
SCHEMBL8557930 0.82 HSD11B1 (0.44) TSHRHSD11B1KDM4ENPSR1RXFP1
SCHEMBL8557471 0.81 MAPT (0.48) TSHRHSD11B1KDM4ENPSR1RXFP1
SCHEMBL8555436 0.81 TSHR (0.41) TSHRHSD11B1KDM4ENPSR1CCNE2
SCHEMBL8555234 0.80 AURKA (0.44) TSHRHSD11B1KDM4ENPSR1RXFP1
SCHEMBL8554882 0.80 NR4A2 (0.57) TSHRHSD11B1KDM4ENPSR1RXFP1
SCHEMBL8554937 0.80 MAPT (0.44) TSHRHSD11B1KDM4ENPSR1RXFP1
SCHEMBL8556747 0.78 RXRA (0.59) TSHRKDM4EHPGDCYP2C19LMNA
SCHEMBL8559925 0.78 ALDH1A1 (0.45) HSD11B1KDM4ENPSR1RXFP1MAPT
SCHEMBL8561913 0.78 AR (0.46) TSHRHSD11B1KDM4ENPSR1RXFP1

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
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed