SCHEMBL28301045

SCHEMBL28301045

CCSc1ccc([N+](=O)[O-])c(NCl)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
MAPK1 P28482 5/20 0.41
MAPT P10636 5/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
PDE7A Q13946 2/20 0.38
TSHR P16473 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KAT2B Q92831 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
SCHEMBL28067715 0.88 MAPT (0.43) IDO1MAPK1MAPTPKMSMN1; SMN2
SCHEMBL27229142 0.80 TSHR (0.58) MAPK1MAPTSMN1; SMN2ALDH1A1PDE7A
SCHEMBL28301221 0.79 MAPT (0.39) IDO1MAPK1MAPTPKMALDH1A1
SCHEMBL27229152 0.78 MAPT (0.49) MAPK1MAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL11483675 0.76 MAPT (0.54) MAPK1MAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL10784739 0.76 GPR35 (0.51) MAPK1MAPTPKMSMN1; SMN2ALDH1A1
SCHEMBL28322481 0.74 TDP1 (0.58) MAPK1MAPTALDH1A1POLBL3MBTL1
SCHEMBL28067659 0.74 MAPT (0.43) IDO1MAPK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL18815092 0.73 TSHR (0.54) MAPTPKMSMN1; SMN2ALDH1A1POLB
SCHEMBL3953683 0.73 ALDH1A1 (0.51) MAPK1MAPTSMN1; SMN2ALDH1A1POLB

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-105622580-B Benzimidazole as prolyl hydroxylase inhibitors 詹森药业有限公司 2019-06-21 CN disclosed