SCHEMBL28038852

SCHEMBL28038852

Cc1c([N+](=O)[O-])ccc(N)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.53
TDP1 Q9NUW8 8/20 0.52
CYP3A4 P08684 6/20 0.47
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RECQL P46063 1/20 0.44
MAPK1 P28482 1/20 0.42
TTR P02766 1/20 0.41
ALB P02768 1/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 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
SCHEMBL10994079 0.86 TDP1 (0.52) TSHRTDP1CYP3A4ALDH1A1MEN1
SCHEMBL1683191 0.83 TSHR (0.57) TSHRTDP1CYP3A4ALDH1A1MEN1
SCHEMBL309255 0.83 TDP1 (0.63) TSHRTDP1CYP3A4ALDH1A1MEN1
SCHEMBL11034572 0.82 TDP1 (0.50) TSHRTDP1CYP3A4ALDH1A1MEN1
SCHEMBL768285 0.82 TDP1 (0.54) TSHRTDP1CYP3A4ALDH1A1MEN1
SCHEMBL29796095 0.82 TDP1 (0.54) TSHRTDP1CYP3A4ALDH1A1MEN1
SCHEMBL588286 0.82 TSHR (0.55) TSHRTDP1CYP3A4ALDH1A1MEN1
SCHEMBL278506 0.82 TDP1 (0.67) TSHRTDP1CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL30256667 0.82 TDP1 (0.67) TSHRTDP1CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL28322482 0.82 TDP1 (0.54) TSHRTDP1CYP3A4ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105175284-A Amide compounds, preparation method and medical use thereof UNIV CHINA PHARMA 2015-12-23 CN disclosed