SCHEMBL3711487

SCHEMBL3711487

CCOC(=O)CN(C(=O)c1ccccc1)c1cc(Br)c(Oc2ccc(OC)c(S(=O)(=O)NC3CCCCC3)c2)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
TP53 P04637 2/20 0.44
CASP1 P29466 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
BRD4 O60885 2/20 0.39
BRD3 Q15059 2/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CPT2 P23786 1/20 0.38
CPT1A P50416 1/20 0.38
CPT1B Q92523 1/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
BRD2 P25440 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL3705084 0.84 TSHR (0.44) POLBSMN1; SMN2KMT2AMEN1TSHR
SCHEMBL3711114 0.83 TSHR (0.44) TP53SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL3702629 0.82 THRB (0.42) SMN1; SMN2KMT2ATSHRBRD4BRD3
SCHEMBL3705439 0.80 TSPO (0.38) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL3707230 0.80 LMNA (0.36) TP53KMT2AMEN1TSHRALDH1A1
SCHEMBL3231409 0.79 POLB (0.45) POLBTP53CASP1SMN1; SMN2KMT2A
SCHEMBL3706682 0.78 THRB (0.39) LMNAMAPT
SCHEMBL3703153 0.78 THRB (0.45)
SCHEMBL3715784 0.78 TSHR (0.39) KMT2AMEN1TSHRLMNAMAPT
SCHEMBL3714771 0.78 ESR1 (0.38) SMN1; SMN2KMT2AMEN1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010086878-A2 THYROID RECEPTOR MODULATORS CADILA HEALTHCARE LIMITED (IN) 2010-08-05 WO claimed
WO-2010086878-A2 THYROID RECEPTOR MODULATORS CADILA HEALTHCARE LIMITED (IN) 2010-08-05 WO disclosed