SCHEMBL27359271

SCHEMBL27359271

C=NC(=O)c1cc([N+](=O)[O-])c(S(=O)(=O)c2ccc(Cl)cc2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 1/20 0.47
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
FLT1 P17948 4/20 0.41
FLT4 P35916 4/20 0.41
KDR P35968 4/20 0.41
ATM Q13315 1/20 0.41
IDH1 O75874 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CCR2 P41597 1/20 0.39
POLB P06746 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOD2 Q9HC29 1/20 0.39
HSP90AA1 P07900 2/20 0.38
HPGD P15428 1/20 0.38
JAK2 O60674 1/20 0.38
S1PR4 O95977 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL27548588 0.91 ALDH1A1 (0.44) KIF18AKMT2AMEN1ALDH1A1POLB
SCHEMBL27375130 0.89 KIF18A (0.48) KIF18AKMT2AMEN1ALDH1A1POLB
SCHEMBL27355044 0.89 MAPT (0.49) KIF18AKMT2AMEN1FLT1FLT4
SCHEMBL27373709 0.88 KMT2A (0.42) KIF18AKMT2AMEN1FLT1FLT4
SCHEMBL6935453 0.86 SLC9A1 (0.50) KIF18A
SCHEMBL27466628 0.86 KIF18A (0.45) KIF18AKMT2AMEN1FLT1FLT4
SCHEMBL27467070 0.84 ABCC9 (0.39) KIF18AKMT2AMEN1ALDH1A1POLB
SCHEMBL27353903 0.84 LMNA (0.49) KIF18AKMT2AMEN1ALDH1A1POLB
SCHEMBL27447157 0.81 POLB (0.40) KMT2AMEN1ALDH1A1POLBHTT
SCHEMBL27374122 0.81 SLC9A1 (0.47) POLBHTTMAPT

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-1071743-C Sulfuryl or sulfinyl benzoyl guanidine derivative MERCK PATENT GMBH (DE) 2001-09-26 CN disclosed
CN-1148590-A Sulfuryl or sulfinyl benzoyl guanidine derivative MERCK PATENT GMBH (DE) 1997-04-30 CN disclosed