SCHEMBL7522876

SCHEMBL7522876

Nc1ccc([N+](=O)[O-])c(CCO)c1CCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
TDP1 Q9NUW8 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
ALOX15 P16050 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.43
LMNA P02545 2/20 0.41
GPR35 Q9HC97 2/20 0.40
HSP90AA1 P07900 1/20 0.39
HNF4A P41235 1/20 0.39
MAPK1 P28482 2/20 0.37
CYP1A2 P05177 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADRB2 P07550 1/20 0.37

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
SCHEMBL5484250 0.88 TSHR (0.44) TSHRTDP1ALDH1A1MAPTALOX15
SCHEMBL6057969 0.86 TSHR (0.43) TSHRTDP1ALDH1A1MAPTALOX15
SCHEMBL3393735 0.84 GPR35 (0.46) TSHRTDP1ALDH1A1MAPTALOX15
SCHEMBL28146285 0.82 TSHR (0.44) TSHRTDP1ALDH1A1MAPTALOX15
SCHEMBL1933923 0.80 TSHR (0.47) TSHRTDP1ALDH1A1MAPTALOX15
SCHEMBL10586114 0.78 TDP1 (0.40) TSHRTDP1ALDH1A1MAPTALOX15
SCHEMBL460054 0.78 TDP1 (0.38) TSHRTDP1ALDH1A1MAPTALOX15
SCHEMBL7159890 0.77 GPR35 (0.54) TSHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL16863642 0.76 TSHR (0.40) TSHRTDP1ALDH1A1MAPTALOX15
SCHEMBL13726953 0.76 TSHR (0.43) TSHRTDP1ALDH1A1MAPTALOX15

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
US-5266651-A Crosslinked poled polymers for nonlinear optic applications and method of making them E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-11-30 US claimed
EP-1173414-A1 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2002-01-23 EP disclosed
WO-2000064864-A9 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RES CAMPAIGN TECH (GB) 2001-12-27 WO disclosed
WO-2000064864-A1 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-11-02 WO disclosed