SCHEMBL9526222

SCHEMBL9526222

Cn1ccc(=O)cc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.47
ALDH1A1 P00352 5/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
BRD4 O60885 2/20 0.42
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.40
ADORA2B P29275 1/20 0.39
GLO1 Q04760 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BRD9 Q9H8M2 1/20 0.38
HSP90AA1 P07900 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL30227871 0.81 PTGS2 (0.40) ALDH1A1BRD4KDM4EL3MBTL1
SCHEMBL11436206 0.77 ALDH1A1 (0.56) PCSK9ALDH1A1HPGDLMNAHTT
SCHEMBL11374766 0.76 ALDH1A1 (0.40) ALDH1A1HPGDLMNAHTTKDM4E
SCHEMBL10513428 0.74 ALDH1A1 (0.50) ALDH1A1HPGDLMNAHTTSMN1; SMN2
SCHEMBL6444709 0.72 PCSK9 (0.73) PCSK9ALDH1A1LMNAKDM4ESMN1; SMN2
Biphenyl SCHEMBL27274937 0.70 KDM4E (0.48) ALDH1A1LMNABRD4KDM4EKMT2A
SCHEMBL12864319 0.69 BRD4 (0.47) ALDH1A1BRD4KDM4ESMN1; SMN2GLO1
SCHEMBL9273371 0.68 BRD4 (0.46) PCSK9ALDH1A1HPGDLMNAHTT
SCHEMBL791652 0.67
SCHEMBL1964715 0.67 ALDH1A1 (0.46) ALDH1A1HPGDBRD4KDM4ESMN1; SMN2

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-0546082-A1 HERBICIDAL PYRROLESULFONYLUREAS. DU PONT (US) 1993-06-16 EP disclosed