SCHEMBL9508171

SCHEMBL9508171

O=C(c1ccccc1-c1ccccc1-c1ccccc1)N(O)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
ALDH1A1 P00352 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.50
LTB4R2 Q9NPC1 5/20 0.49
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
TACR1 P25103 1/20 0.44
LPAR1 Q92633 1/20 0.44
TSHR P16473 1/20 0.44
ALOX5 P09917 2/20 0.43
KDM4E B2RXH2 1/20 0.43
BCAT2 O15382 1/20 0.42
RIPK1 Q13546 1/20 0.42
GPR52 Q9Y2T5 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL9504774 0.79 KMT2A (0.51) KMT2AMEN1ALDH1A1SMN1; SMN2LTB4R2
SCHEMBL5353976 0.79 MEN1 (0.71) KMT2AMEN1ALDH1A1SMN1; SMN2LTB4R2
SCHEMBL1436049 0.77 TSHR (0.72) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL7445918 0.75 MEN1 (0.86) KMT2AMEN1ALDH1A1SMN1; SMN2CHRNB2
Hydrogen Sulfide SCHEMBL28029146 0.73 MEN1 (0.83) KMT2AMEN1ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL7646415 0.72 HSD11B1 (0.54) KMT2AMEN1TSHRALOX5KDM4E
SCHEMBL2346836 0.72 HNF4A (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2CHRNB2
Benzene SCHEMBL28175839 0.72 HNF4A (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL30578395 0.72 HNF4A (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2CHRNB2
SCHEMBL10029709 0.72 BCAT2 (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2CHRNB2

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-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
CN-85104470-A The method for preparing arythydroxamtes 1986-10-01 CN disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed