SCHEMBL3705084

SCHEMBL3705084

CCOC(=O)CN(C(=O)c1ccccc1)c1cc(Br)c(Oc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 3/20 0.42
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 4/20 0.41
APAF1 O14727 1/20 0.41
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL3713137 0.91 MAPT (0.46) TSHRALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL3711114 0.85 TSHR (0.44) TSHRALDH1A1KMT2ASMN1; SMN2GAA
SCHEMBL3711487 0.84 POLB (0.44) TSHRALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL3705439 0.82 TSPO (0.38) TSHRALDH1A1MAPTKMT2AGAA
SCHEMBL3707230 0.81 LMNA (0.36) TSHRALDH1A1MAPTKMT2AGAA
SCHEMBL3707649 0.81 THRB (0.42) TSHRMAPTSMN1; SMN2GAATHRB
SCHEMBL3703153 0.80 THRB (0.45) THRB
SCHEMBL3715784 0.79 TSHR (0.39) TSHRMAPTKMT2AMEN1LMNA
SCHEMBL3714771 0.79 ESR1 (0.38) TSHRALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL3706682 0.79 THRB (0.39) MAPTLMNATHRB

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