SCHEMBL9684718

SCHEMBL9684718

O=C(NO)NCCc1cc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
ADAM17 P78536 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC6 Q9UBN7 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
MAOB P27338 1/20 0.43
AGXT P21549 1/20 0.43

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
SCHEMBL4499441 0.84 MTNR1A (0.53) NPC1L3MBTL1LOXL2ESR1ESR2
SCHEMBL9685844 0.79 ALDH1A1 (0.46) NPC1L3MBTL1LOXL2ESR1ESR2
SCHEMBL21148536 0.77 MMP2 (0.60) MMP2MMP9ADAM17LOXL2HDAC1
SCHEMBL31173757 0.74 LOXL2 (0.55) L3MBTL1LOXL2SMN1; SMN2MAOBAGXT
SCHEMBL10662358 0.74 LOXL2 (0.55) L3MBTL1LOXL2SMN1; SMN2MAOBAGXT
SCHEMBL10368235 0.74 LOXL2 (0.55) NPC1MMP2MMP9ADAM17LOXL2
SCHEMBL1806012 0.73 CYP2A6 (0.50) LOXL2HDAC1HDAC2MEN1RAB9A
SCHEMBL7248298 0.73 LOXL2 (0.53) NPC1MMP2MMP9ADAM17LOXL2
SCHEMBL18415492 0.73 USP2 (0.54) NPC1MMP2ADAM17LOXL2ESR1
SCHEMBL6243293 0.72 LOXL2 (0.66) LOXL2ESR1ESR2RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990008545-A1 LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-08-09 WO claimed
US-5175183-A Antiinflammatory agents, respiratory system disorders ABBOTT LABORATORIES (US) 1992-12-29 US disclosed
WO-1990008545-A1 LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-08-09 WO disclosed