SCHEMBL1741916

SCHEMBL1741916

COc1ccc2ncc(SCCN3CCC(NS(=O)(=O)c4ccccc4[N+](=O)[O-])CC3I)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
DRD2 P14416 3/20 0.34
ADRA1A P35348 2/20 0.34
ADRA1B P35368 2/20 0.34
ADRA1D P25100 1/20 0.34
PKM P14618 1/20 0.34
MET P08581 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33
TUBA3C P0DPH7 2/20 0.33
TUBA1B P68363 2/20 0.33
TUBA4A P68366 2/20 0.33
TUBB4B P68371 2/20 0.33
TUBB3 Q13509 2/20 0.33
TUBB2A Q13885 2/20 0.33
TUBB8 Q3ZCM7 2/20 0.33
TUBA3E Q6PEY2 2/20 0.33
TUBA1A Q71U36 2/20 0.33

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
SCHEMBL621315 0.89 KMT2A (0.43) KMT2AMEN1DRD2ADRA1AADRA1B
SCHEMBL1740506 0.86 LMNA (0.34) KMT2AMEN1PKMMETHTR2A
SCHEMBL620429 0.77 HTR2A (0.37) KMT2AMEN1DRD2PKMHTR2A
SCHEMBL621994 0.69 FGFR1 (0.41) DRD2HPGDSALDH1A1
SCHEMBL620713 0.66 PIK3CA (0.43) METHPGDS
SCHEMBL620404 0.65 FGFR3 (0.47) DRD2
SCHEMBL621713 0.64 KCNH2 (0.46)
SCHEMBL621993 0.64 FGFR1 (0.39) DRD2
SCHEMBL3707718 0.63 KMT2A (0.47) KMT2AMEN1NPSR1ALDH1A1MAPT
SCHEMBL15662656 0.63 KCNH2 (0.38) KMT2AMEN1HPGDSNPSR1ALDH1A1

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
EP-2389376-A1 NOVEL BICYCLIC ANTIBIOTICS Basilea Pharmaceutica AG (CH) 2011-11-30 EP disclosed
WO-2010084152-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2010-07-29 WO disclosed