SCHEMBL8308537

SCHEMBL8308537

COC(=O)c1ccc(Br)c(OCC(C)Cl)c1SC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.33
THRB P10828 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
ABL1 P00519 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL8311738 0.87 THRB (0.36) THRATHRBTSHRALDH1A1
SCHEMBL8672763 0.73 RXRA (0.32) KDM4EALDH1A1LMNA
SCHEMBL8310334 0.72 CA1 (0.42) TSHRTDP1L3MBTL1ABL1KDM4E
SCHEMBL8307840 0.71 MAPT (0.41) TSHRTDP1KDM4EALDH1A1LMNA
SCHEMBL8489353 0.71 ALDH1A1 (0.45) TSHRTDP1KDM4EALDH1A1LMNA
SCHEMBL8308697 0.70 MAPT (0.37) THRBTSHRTDP1L3MBTL1HDAC3
SCHEMBL8489108 0.69 MEN1 (0.48) TSHRTDP1L3MBTL1KDM4EALDH1A1
SCHEMBL8310463 0.69 HSD17B10 (0.38) THRATHRBTSHRKDM4EALDH1A1
SCHEMBL18761745 0.69 CA1 (0.39) TSHRTDP1L3MBTL1ABL1KDM4E
SCHEMBL8307721 0.69 TSHR (0.38) TSHRTDP1L3MBTL1KDM4EALDH1A1

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
EP-0918056-A1 Herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1999-05-26 EP disclosed