SCHEMBL10480321

SCHEMBL10480321

NC(=O)N(O)CCc1cc2ccccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.50
AGXT P21549 1/20 0.46
FLT3 P36888 1/20 0.46
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
MAPK1 P28482 2/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
ALOX5 P09917 2/20 0.42
MAOB P27338 1/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL2393157 0.85 LOXL2 (0.53) LOXL2AGXTFLT3ESR1ESR2
SCHEMBL7140949 0.78 LOXL2 (0.56) LOXL2AGXTFLT3ESR1ESR2
SCHEMBL8783399 0.75 HDAC1 (0.60) NPC1MEN1TSHRRAB9AKMT2A
SCHEMBL436458 0.75 CYP2A6 (0.51) LOXL2AGXTALOX5
SCHEMBL30886917 0.74 SMN1; SMN2 (0.57) LOXL2AGXTMAPK1ALDH1A1HPGD
SCHEMBL10368235 0.74 LOXL2 (0.55) LOXL2AGXTFLT3ESR1ESR2
SCHEMBL5986670 0.74 LOXL2 (0.59) LOXL2AGXTFLT3ESR1ESR2
SCHEMBL1176465 0.73 LOXL2 (0.50) LOXL2AGXTFLT3ESR1ESR2
SCHEMBL7248298 0.73 LOXL2 (0.53) LOXL2AGXTFLT3ESR1ESR2
SCHEMBL6243293 0.72 LOXL2 (0.66) LOXL2AGXTFLT3ESR1ESR2

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
US-4822809-A ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1989-04-18 US disclosed