SCHEMBL9877536

SCHEMBL9877536

O=C1CSCCN1c1ccccc1O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.36
BRD4 O60885 1/20 0.35
ADRA1B P35368 1/20 0.35
MAPT P10636 1/20 0.35
GFER P55789 1/20 0.35
METAP2 P50579 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BCHE P06276 1/20 0.34
COMT P21964 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA1D P25100 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
SCHEMBL10933135 0.75 ALDH1A1 (0.55) GAAKDM4EPOLBALDH1A1MEN1
SCHEMBL6763593 0.74 ADRA1B (0.49) GAAKDM4EPOLBALDH1A1MEN1
SCHEMBL3984909 0.72 ADRA1B (0.45) GAAKDM4EPOLBALDH1A1MEN1
SCHEMBL9877542 0.72 KMT2A (0.42) KDM4EPOLBALDH1A1MEN1KMT2A
SCHEMBL29842516 0.70 F10 (0.43) GAAKDM4EPOLBMEN1KMT2A
SCHEMBL25001894 0.69 GAA (0.38) GAAKDM4EPOLBALDH1A1MEN1
SCHEMBL6769390 0.67 SCN9A (0.46) GAAKDM4EPOLBALDH1A1MEN1
SCHEMBL21770162 0.66 VHL (0.37) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL22411022 0.66 MEN1 (0.44) GAAPOLBALDH1A1MEN1KMT2A
SCHEMBL14899249 0.66 GAA (0.42) GAAKDM4EPOLBMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5036157-A Hydroxamic acid derivatives, lipoxygenase and cyclooxygenase inhibitors, anticoagulants, antiinflammatory agents BURROUGHS WELLCOME CO. 1991-07-30 US disclosed
US-4977188-A Hydroamic acid derivatives BURROUGHS WELLCOME CO. (US) 1990-12-11 US disclosed
WO-1990001929-A1 NEW MEDICAL USE THE WELLCOME FOUNDATION LIMITED (GB) 1990-03-08 WO disclosed
EP-0196184-A2 Aryl derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1986-10-01 EP disclosed