SCHEMBL9543443

SCHEMBL9543443

COc1cc(C(=O)N(C(C)C)C2CCCCC2)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A9 P48067 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 2/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL9540773 0.87 SLC6A2 (0.42) TSHRKMT2AMEN1ALDH1A1SLC6A2
SCHEMBL9199484 0.86 TSHR (0.44) TSHRKMT2AMEN1MAPK1SLC6A2
SCHEMBL9542239 0.84 TSHR (0.42) TSHRALDH1A1SLC6A2SLC6A4SLC6A9
SCHEMBL9540766 0.84 SLC6A2 (0.44) TSHRKMT2AMEN1ALDH1A1SLC6A2
SCHEMBL9540877 0.82 SLC6A9 (0.47) TSHRKMT2AMEN1SLC6A2SLC6A4
SCHEMBL9541782 0.82 KMT2A (0.41) TSHRKMT2AMEN1ALDH1A1MAPK1
SCHEMBL9541760 0.81 TUBB4A (0.51) KMT2AMEN1SLC6A9MAPT
SCHEMBL1354744 0.81 TSHR (0.61) TSHRKMT2AMEN1ALDH1A1MAPK1
SCHEMBL9544534 0.80 KMT2A (0.38) TSHRKMT2AMEN1ALDH1A1MAPK1
SCHEMBL9542205 0.80 TSHR (0.43) TSHRKMT2AMEN1SLC6A2SLC6A4

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