SCHEMBL28299485

SCHEMBL28299485

O=[N+]([O-])c1ccc2c(c1)ncn2Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
MAPT P10636 3/20 0.57
HPGD P15428 1/20 0.53
PKM P14618 1/20 0.53
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
FGFR1 P11362 2/20 0.49
BRD4 O60885 1/20 0.45
KCNH2 Q12809 1/20 0.45
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
ALOX5 P09917 1/20 0.44
GPR35 Q9HC97 1/20 0.43
CYP3A4 P08684 1/20 0.42
NAMPT P43490 1/20 0.42

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
SCHEMBL19911364 0.80 MAPT (0.61) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL594361 0.80 ALDH1A1 (0.60) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL211698 0.80 L3MBTL1 (0.61) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL19911377 0.80 PKM (0.64) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL19911380 0.80 ALDH1A1 (0.56) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL11050724 0.79 ALDH1A1 (0.58) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL19911367 0.78 ALDH1A1 (0.57) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL12732375 0.76 ALDH1A1 (0.56) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL15531972 0.76 ALDH1A1 (0.56) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL22449397 0.76 ALDH1A1 (0.56) ALDH1A1MAPTHPGDPKMKMT2A

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