SCHEMBL8764972

SCHEMBL8764972

NCOc1ccccc1[O]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 3/20 0.40
AGXT P21549 2/20 0.39
HTT P42858 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTR1B P28222 2/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GLA P06280 1/20 0.35
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
RECQL P46063 2/20 0.32
LMNA P02545 2/20 0.32

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
SCHEMBL8765729 0.80 KDM4E (0.54) KDM4EALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL55705 0.78 ALDH1A1 (0.37) KDM4EALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL482954 0.78 ALDH1A1 (0.58) KDM4EALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL7049447 0.76 ALDH1A1 (0.35) KDM4EALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL7904254 0.76 ALDH1A1 (0.35) KDM4EALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL6003548 0.76 DRD1 (0.46) KDM4EALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL3015617 0.76 ALDH1A1 (0.35) KDM4EALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL7055886 0.74 ALDH1A1 (0.43) KDM4EALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL11195993 0.74 CA12 (0.36) KDM4EALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL28033604 0.73 ALDH1A1 (0.64) KDM4EALDH1A1AGXTSMN1; SMN2L3MBTL1

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-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 EP disclosed