SCHEMBL28067658

SCHEMBL28067658

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MITF O75030 1/20 0.41
MAPT P10636 6/20 0.40
TP53 P04637 1/20 0.40
CASP3 P42574 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
RAB9A P51151 4/20 0.40
MAPK1 P28482 3/20 0.39
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
AKR1C3 P42330 2/20 0.39

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
SCHEMBL117243 0.85 HCAR3 (0.50) DHODHMEN1KMT2ASMN1; SMN2MITF
SCHEMBL27597146 0.81 DHODH (0.53) DHODHMEN1KMT2ASMN1; SMN2MITF
SCHEMBL3483129 0.80 KMT2A (0.56) DHODHMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL16429768 0.80 L3MBTL1 (0.58) MEN1KMT2AMAPTTP53CASP3
SCHEMBL1275645 0.80 MAPK1 (0.48) MEN1KMT2ASMN1; SMN2MITFMAPT
SCHEMBL31191383 0.80 MAPK1 (0.48) MEN1KMT2ASMN1; SMN2MITFMAPT
SCHEMBL7516309 0.78 ALDH1A1 (0.62) DHODHMEN1KMT2ASMN1; SMN2MITF
SCHEMBL7516302 0.78 ALDH1A1 (0.62) DHODHMEN1KMT2ASMN1; SMN2MITF
SCHEMBL1275648 0.78 ALDH1A1 (0.53) MEN1KMT2ASMN1; SMN2MITFMAPT
SCHEMBL31237064 0.78 ALDH1A1 (0.53) MEN1KMT2ASMN1; SMN2MITFMAPT

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 2 patents. 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
CN-105622580-A Benzoimidazoles as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV 2016-06-01 CN disclosed