SCHEMBL9104050

SCHEMBL9104050

COc1cccc(C(=O)N(NC(C)(C)C)C(=O)c2cc(Cl)nc(Cl)c2)c1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.48
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
UTS2R Q9UKP6 2/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
JAK2 O60674 1/20 0.37
GRM5 P41594 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EED O75530 1/20 0.36
RBBP4 Q09028 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36
AEBP2 Q6ZN18 1/20 0.36

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
SCHEMBL7067587 0.86 ABCB1 (0.64) ABCB1
SCHEMBL17416606 0.83 ABCB1 (0.56) ABCB1
SCHEMBL18091856 0.80 ABCB1 (0.43) ABCB1ALDH1A1SMN1; SMN2UTS2RGRM5
SCHEMBL17416630 0.80 ABCB1 (0.46) ABCB1SMN1; SMN2ACHE
SCHEMBL9102771 0.80 ABCB1 (0.64) ABCB1
SCHEMBL5062707 0.80 ABCB1 (0.77) ABCB1
SCHEMBL9237588 0.78 P2RX7 (0.40) ABCB1
SCHEMBL17416624 0.76 ABCB1 (0.53) ABCB1
SCHEMBL9099071 0.76 ABCB1 (0.53) ABCB1
SCHEMBL9102505 0.75 ABCB1 (0.41) ABCB1ALDH1A1SMN1; SMN2MEN1KMT2A

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-2460786-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2012-06-06 EP disclosed