SCHEMBL9544534

SCHEMBL9544534

COc1cc(C(O)c2ccc(C(=O)N(C(C)C)C3CCCCC3)cc2Br)cc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 3/20 0.38
GLA P06280 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.34
SLC6A9 P48067 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL9542195 0.91 MEN1 (0.40) KMT2AMEN1ALDH1A1GLAALOX15
SCHEMBL9584911 0.89 MEN1 (0.39) KMT2AMEN1ALDH1A1GLAALOX15
SCHEMBL9542307 0.86 MEN1 (0.42) KMT2AMEN1ALDH1A1GLAALOX15
SCHEMBL9541782 0.82 KMT2A (0.41) KMT2AMEN1ALDH1A1GLACYP1A2
SCHEMBL9543443 0.80 TSHR (0.43) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9541760 0.78 TUBB4A (0.51) KMT2AMEN1TDP1POLBMAPT
SCHEMBL9542205 0.77 TSHR (0.43) KMT2AMEN1CYP1A2CYP3A4GAA
SCHEMBL9544531 0.77 KMT2A (0.37) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL9542171 0.77 GAA (0.46) KMT2AMEN1CYP1A2CYP3A4GAA
SCHEMBL9543513 0.77 HIF1A (0.43) ALOX15TSHRMAPTSLC6A9

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
US-5223539-A Antagonist of platelet activating factor G. D. SEARLE & CO. (US) 1993-06-29 US disclosed
WO-1993010077-A1 N,N-DI-ALKYL(PHENOXY)BENZAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1993-05-27 WO disclosed