SCHEMBL9328343

SCHEMBL9328343

C=Cc1ccccc1C=NO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 2/20 0.52
HSD17B10 Q99714 1/20 0.52
FGF23 Q9GZV9 1/20 0.48
ALDH1A1 P00352 5/20 0.47
HTT P42858 4/20 0.47
LMNA P02545 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
ALOX12 P18054 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6779682 0.87 FGF23 (0.57) HPGDTSHRMAPK1HSD17B10FGF23
SCHEMBL5049334 0.80 ALOX12 (0.55) HPGDTSHRMAPK1HSD17B10FGF23
SCHEMBL7638 0.79 ALDH1A1 (0.63) TSHRHSD17B10ALDH1A1LMNAALOX12
SCHEMBL29405187 0.79 ALDH1A1 (0.63) TSHRHSD17B10ALDH1A1LMNAALOX12
SCHEMBL473080 0.79 ALDH1A1 (0.63) TSHRHSD17B10ALDH1A1LMNAALOX12
Methyl Alcohol SCHEMBL28639807 0.76 ALDH1A1 (0.55) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL6779677 0.76 LMNA (0.62) HPGDTSHRMAPK1HSD17B10FGF23
SCHEMBL10603682 0.76 LMNA (0.62) HPGDTSHRMAPK1HSD17B10FGF23
SCHEMBL9964995 0.76 ALDH1A1 (0.44) HPGDTSHRMAPK1HSD17B10FGF23
SCHEMBL14229986 0.76 ALDH1A1 (0.44) HPGDTSHRMAPK1HSD17B10ALDH1A1

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
EP-0313997-B1 Medicine, therein contained phosphor containing 2-isoxazolidines and isoxazoles, as well as process for preparing those heterocyclic compounds HOECHST AG (DE) 1994-03-09 EP disclosed
US-5006515-A Immunology disorders, antitumor agent HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-09 US disclosed
EP-0313997-A2 Medicine, therein contained phosphor containing 2-isoxazolidines and isoxazoles, as well as process for preparing those heterocyclic compounds HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-03 EP disclosed