SCHEMBL28299521

SCHEMBL28299521

O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.61
EPAS1 Q99814 1/20 0.59
MAPT P10636 7/20 0.58
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
KCNMA1 Q12791 1/20 0.54
CYP3A4 P08684 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
HIF1A Q16665 1/20 0.54
TXNRD1 Q16881 1/20 0.54
TXNRD3 Q86VQ6 1/20 0.54
TXNRD2 Q9NNW7 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PKM P14618 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL11582855 0.87 MAPK1 (0.58) MAPK1EPAS1MAPTALDH1A1GAA
SCHEMBL28300996 0.87 AKR1B1 (0.56) MAPK1EPAS1MAPTALDH1A1GAA
SCHEMBL28301176 0.85 MAPK1 (0.62) MAPK1EPAS1MAPTALDH1A1GAA
SCHEMBL28300949 0.83 MAPK1 (0.61) MAPK1EPAS1MAPTALDH1A1GAA
SCHEMBL9210909 0.83 MAPK1 (0.61) MAPK1EPAS1MAPTALDH1A1GAA
SCHEMBL116971 0.83 MAPK1 (0.65) MAPK1EPAS1MAPTALDH1A1GAA
SCHEMBL4490148 0.83 MAPK1 (0.61) MAPK1EPAS1MAPTALDH1A1GAA
SCHEMBL8430862 0.83 MAPK1 (0.61) MAPK1EPAS1MAPTALDH1A1GAA
SCHEMBL9836462 0.81 KCNMA1 (0.63) MAPK1EPAS1MAPTALDH1A1GAA
SCHEMBL11199548 0.81 EPAS1 (0.61) MAPK1EPAS1MAPTALDH1A1GAA

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