SCHEMBL895013

SCHEMBL895013

O=C=NC(=O)c1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
HPGD P15428 5/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
CA1 P00915 2/20 0.50
CA9 Q16790 2/20 0.50
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
HMGB1 P09429 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MAPT P10636 4/20 0.48
TSHR P16473 3/20 0.48
HSD17B10 Q99714 3/20 0.48
GAA P10253 2/20 0.45
MPO P05164 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL3395153 0.87 ALDH1A1 (0.42) KDM4EHPGDALDH1A1SMN1; SMN2CA1
SCHEMBL11192166 0.78 KDM4E (0.60) KDM4EHPGDALDH1A1SMN1; SMN2CA1
SCHEMBL11082801 0.78 MEN1 (0.43) KDM4EHPGDALDH1A1SMN1; SMN2CA1
SCHEMBL7753673 0.78 KMT2A (0.41) KDM4EHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL4936719 0.78 ERCC5 (0.46) HPGDSMN1; SMN2TSHRNPC1KMT2A
SCHEMBL4145212 0.78 CES2 (0.54) HPGDALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL34472768 0.77 NR4A1 (0.38) KDM4EHPGDALDH1A1MAPTTSHR
SCHEMBL6054024 0.76 CYP3A4 (0.44) KDM4EHPGDALDH1A1MAPTHSD17B10
SCHEMBL14520194 0.76 KDM4E (0.58) KDM4EHPGDALDH1A1SMN1; SMN2CA1
SCHEMBL9155350 0.75 NR4A1 (0.55) KDM4EHPGDALDH1A1SMN1; SMN2MAPT

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
EP-0003258-B1 PREPARATION OF N-CHLOROIMIDES AND A NOVEL N-CHLOROIMIDE ELI LILLY AND COMPANY (US) 1982-01-13 EP claimed
EP-2440034-A1 HIGH OIL CONTENT PLANTS Bayer BioScience N.V. (BE) 2012-04-18 EP disclosed
US-20120084883-A1 High Oil Content Plants BAYER CROPSCIENCE N.V. (BE) 2012-04-05 US disclosed
WO-2010142424-A1 HIGH OIL CONTENT PLANTS BAYER BIOSCIENCE N.V. (BE) 2010-12-16 WO disclosed