SCHEMBL8790448

SCHEMBL8790448

N=C(NO)c1cccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.44
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
BCAT2 O15382 1/20 0.39
CHRNB2 P17787 5/20 0.39
CHRNA4 P43681 5/20 0.39
CHRNB4 P30926 4/20 0.39
CHRNA3 P32297 4/20 0.39
ALDH1A1 P00352 4/20 0.38
HTT P42858 1/20 0.38
FABP4 P15090 2/20 0.38
FABP3 P05413 1/20 0.38
FABP5 Q01469 1/20 0.38
HPGD P15428 1/20 0.36
BCL2L1 Q07817 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL7398164 0.85 BCAT2 (0.48) HNF4ABCAT2CHRNB2CHRNA4CHRNB4
SCHEMBL6832583 0.78 BCAT2 (0.50) HNF4APLAUPLATBCAT2ALDH1A1
SCHEMBL5010723 0.77 HNF4A (0.53) HNF4ABCAT2CHRNB2CHRNA4CHRNB4
SCHEMBL225203 0.73 HNF4A (0.71) HNF4ABCAT2CHRNB2CHRNA4CHRNB4
SCHEMBL5010126 0.73 HNF4A (0.50) HNF4ABCAT2CHRNB2CHRNA4CHRNB4
SCHEMBL8778491 0.73 HNF4A (0.60) HNF4APLAUPLATBCAT2CHRNB2
SCHEMBL5008857 0.72 HNF4A (0.48) HNF4APLAUPLATBCAT2CHRNB2
SCHEMBL5010686 0.72 HNF4A (0.48) HNF4APLAUPLATBCAT2CHRNB2
SCHEMBL7367739 0.71 BCAT2 (0.35) BCAT2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16113000 0.71 HNF4A (0.44) HNF4ABCAT2CHRNB2CHRNA4CHRNB4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0801649-A2 HYDROXYLAMINE DERIVATIVES USEFUL FOR ENHANCING THE MOLECULAR CHAPERON PRODUCTION AND THE PREPARATION THEREOF BIOREX KUTATO ES FEJLESZTÖ RT. (HU) 1997-10-22 EP disclosed
WO-1997016439-A1 HYDROXYLAMINE DERIVATIVES USEFUL FOR ENHANCING THE MOLECULAR CHAPERON PRODUCTION AND THE PREPARATION THEREOF Biorex Kutató és Fejlesztó Rt. (HU) 1997-05-09 WO disclosed