SCHEMBL28626993

SCHEMBL28626993

O=C(O)c1nc2n(c1I)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 5/20 0.40
POLB P06746 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MTHFD2 P13995 1/20 0.38
HPGD P15428 1/20 0.37
HSD17B10 Q99714 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL24079283 0.79 MAPK1 (0.40) MAPK1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL28470543 0.79 MAPK1 (0.40) MAPK1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL19909627 0.79 MAPK1 (0.43) MAPK1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL23645338 0.77 MAPT (0.53) MAPK1ALDH1A1POLBKMT2AHPGD
SCHEMBL2713917 0.75 POLB (0.41) MAPK1ALDH1A1POLBMEN1KMT2A
SCHEMBL19148226 0.74 POLB (0.43) MAPK1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL28468166 0.72 MAPK1 (0.38) MAPK1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL21357724 0.72 MAPK1 (0.38) MAPK1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL21363297 0.70 ALDH1A1 (0.37) MAPK1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL13772455 0.69 HSD17B10 (0.60) MAPK1ALDH1A1POLBTDP1L3MBTL1

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-112689636-A Novel heteroatom aromatic amide derivative and drug containing the same 科研制药株式会社 2021-04-20 CN disclosed