SCHEMBL7484667

SCHEMBL7484667

Cc1cc([N+](=O)[O-])cc2c1OCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
GPR35 Q9HC97 1/20 0.41
CYP3A4 P08684 2/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
CYP19A1 P11511 1/20 0.35
NSD2 O96028 1/20 0.35
LMNA P02545 3/20 0.34
HTT P42858 2/20 0.34
PARP1 P09874 1/20 0.34
ADRA2A P08913 1/20 0.34
PNMT P11086 1/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL10580640 0.81 ALDH1A1 (0.41) ALDH1A1TSHRTDP1GPR35CYP3A4
SCHEMBL8550097 0.80 GPR35 (0.43) ALDH1A1TSHRTDP1GPR35CYP3A4
SCHEMBL1979879 0.80 PARP1 (0.41) ALDH1A1TSHRTDP1GPR35CYP3A4
SCHEMBL29814297 0.80 GPR35 (0.43) ALDH1A1TSHRTDP1GPR35CYP3A4
SCHEMBL15427979 0.80 ALDH1A1 (0.48) ALDH1A1TSHRTDP1GPR35CYP3A4
SCHEMBL7084146 0.80 MEN1 (0.46) ALDH1A1TSHRCYP3A4MEN1KMT2A
SCHEMBL8550301 0.80 GPR35 (0.41) ALDH1A1TSHRTDP1GPR35CYP3A4
SCHEMBL8117804 0.80 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4MEN1KMT2A
SCHEMBL8545255 0.78 PARP1 (0.43) ALDH1A1CYP3A4MEN1KMT2ALMNA
SCHEMBL29814344 0.78 PARP1 (0.43) ALDH1A1CYP3A4MEN1KMT2ALMNA

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
CN-108329285-B Method for synthesizing 2, 3-dihydrobenzofuran compound 武汉大学 2019-12-10 CN disclosed
EP-0783499-B1 BENZOFURAN DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LTD (GB) 2002-10-23 EP disclosed
US-5935972-A Benzofuran derivatives as tachykinin antagonists GLAXO GROUP LIMITED (GB) 1999-08-10 US disclosed
EP-0783499-A1 BENZOFURAN DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 1997-07-16 EP disclosed
WO-1995006645-A1 BENZOFURAN DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 1995-03-09 WO disclosed