SCHEMBL9711528

SCHEMBL9711528

O=C1CC(c2ccccc2)NC(=O)C1C(=O)c1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 3/20 0.42
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TP53 P04637 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PARP1 P09874 1/20 0.37
HDAC4 P56524 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL9711454 0.87 MAPT (0.44) KMT2AMEN1MAPTLMNAHTT
SCHEMBL9711523 0.85 SLC6A3 (0.40) KMT2AMEN1ALDH1A1PARP1NPSR1
SCHEMBL9711470 0.85 EPHX1 (0.43) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL9711533 0.82 NPC1 (0.43) KMT2ALMNAHTTALDH1A1NPC1
SCHEMBL9711648 0.82 CES2 (0.43) KMT2AMEN1MAPTLMNAHTT
SCHEMBL9711582 0.81 LMNA (0.49) KMT2AMEN1MAPTLMNAHTT
SCHEMBL9711698 0.81 KMO (0.43)
SCHEMBL9711474 0.80 HSD11B1 (0.42)
SCHEMBL9711500 0.79 HSD11B1 (0.41) HTR2AMAPTALDH1A1NPC1RAB9A
SCHEMBL9711520 0.79 SMN1; SMN2 (0.37) HTR2AKMT2AMEN1MAPTLMNA

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-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed