SCHEMBL8555436

SCHEMBL8555436

O=S(=O)(Nc1oc(CSc2ccccc2)nc1-c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
HSD11B1 P28845 2/20 0.40
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 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
EDNRB P24530 5/20 0.39
EDNRA P25101 5/20 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
SCHEMBL8558261 0.82 HSD11B1 (0.44) TSHRHSD11B1MEN1MAPTKMT2A
SCHEMBL8555072 0.82 SLC40A1 (0.45) TSHRHSD11B1MEN1MAPTKMT2A
SCHEMBL8556764 0.81 MAPT (0.54) TSHRHSD11B1MEN1MAPTKMT2A
SCHEMBL8558669 0.81 TSHR (0.41) TSHRHSD11B1CCNE2CCNE1CDK2
SCHEMBL8560795 0.80 EDNRB (0.43) TSHRHSD11B1MEN1MAPTKMT2A
SCHEMBL8557632 0.80 NR4A2 (0.57) TSHRHSD11B1MEN1MAPTKMT2A
SCHEMBL8553642 0.78 AR (0.46) TSHRHSD11B1MEN1MAPTKMT2A
SCHEMBL8557447 0.78 RXRA (0.59) TSHRKDM4EHPGDCYP2C19LMNA
SCHEMBL8561174 0.76 TSHR (0.44) TSHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL5694177 0.75 EDNRB (0.51) TSHRHSD11B1MEN1MAPTKMT2A

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