SCHEMBL8121970

SCHEMBL8121970

N=C(NO)c1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.46
HSD17B10 Q99714 6/20 0.44
TSHR P16473 5/20 0.44
CYP3A4 P08684 3/20 0.44
RECQL P46063 3/20 0.44
ALDH1A1 P00352 2/20 0.44
THRB P10828 3/20 0.41
ALOX15 P16050 3/20 0.39
ALOX12 P18054 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HIF1A Q16665 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
MEP1B Q16820 2/20 0.36
HPGD P15428 4/20 0.36
MAPK1 P28482 3/20 0.36
ESR1 P03372 3/20 0.33
CASP1 P29466 2/20 0.33
MEN1 O00255 2/20 0.31

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
SCHEMBL1174485 0.86 HSD17B10 (0.36) TTRHSD17B10TSHRCYP3A4RECQL
SCHEMBL2290850 0.82 MEN1 (0.51) HSD17B10ALDH1A1ALOX12HPGDMEN1
SCHEMBL31591595 0.80 ACLY (0.33) TTR
SCHEMBL3456184 0.80 ALDH1A1 (0.42) TSHRCYP3A4ALDH1A1LMNAHTR1A
SCHEMBL12348318 0.77 HDAC8 (0.30)
SCHEMBL4168980 0.76 KDM4E (0.42) HSD17B10RECQLALDH1A1SMN1; SMN2HPGD
SCHEMBL14829244 0.76 TSHR (0.48) HSD17B10TSHRHPGDMEN1POLB
SCHEMBL30506265 0.76 TSHR (0.48) HSD17B10TSHRHPGDMEN1POLB
SCHEMBL3237538 0.74 TTR (0.48) TTRHSD17B10TSHRCYP3A4RECQL
Hydrochloric Acid SCHEMBL4170160 0.74 KDM4E (0.41) HSD17B10RECQLALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0566199-B1 1,2,4-Oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents SANOFI SA (FR) 2000-03-01 EP disclosed
US-5643929-A TREATMENT OF PICORNAVIRAL OR RHINOVIRUS AND CHEMICAL INTERMEDIATES SANOFI WINTHROP, INC. (US) 1997-07-01 US disclosed
US-5349068-A 1,2,4-oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1994-09-20 US disclosed
US-5196535-A Viricides JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-23 US disclosed
US-5100893-A Viricides, effective against picorna virus, durability JANSSEN PHARMACEUTICA N.V. (BE) 1992-03-31 US disclosed