SCHEMBL28635156

SCHEMBL28635156

O=C(O)c1nc2n(c1-c1cccc(Cl)n1)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MTHFD2 P13995 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
BCHE P06276 1/20 0.37
CFTR P13569 1/20 0.37
ALOX15 P16050 1/20 0.37
ACHE P22303 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
GOPC Q9HD26 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37

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
SCHEMBL31069248 0.83 MAPT (0.44) POLBMEN1KMT2AALDH1A1HSD17B10
SCHEMBL23645328 0.83 MAPT (0.44) POLBMEN1KMT2AALDH1A1HSD17B10
SCHEMBL31069233 0.82 NR4A2 (0.40) POLBMEN1KMT2AHDAC6MTHFD2
SCHEMBL23645315 0.82 NR4A2 (0.40) POLBMEN1KMT2AHDAC6MTHFD2
SCHEMBL23645366 0.81 TGFBR1 (0.49) MEN1KMT2AHDAC6ALDH1A1HSD17B10
SCHEMBL31069264 0.81 TGFBR1 (0.49) MEN1KMT2AHDAC6ALDH1A1HSD17B10
SCHEMBL29724054 0.77 TGFBR1 (0.53) MEN1KMT2AHDAC6ALDH1A1HSD17B10
SCHEMBL19909627 0.73 MAPK1 (0.43) POLBMEN1KMT2AHDAC6MTHFD2
SCHEMBL23652754 0.71 HDAC6 (0.39) POLBMEN1KMT2AHDAC6MTHFD2
SCHEMBL21810872 0.69 MAPT (0.43) POLBMEN1KMT2AALDH1A1HSD17B10

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