SCHEMBL11090677

SCHEMBL11090677

CS(=O)(=O)Cc1cccc(NO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 1/20 0.42
KDR P35968 9/20 0.41
PKMYT1 Q99640 1/20 0.41
CCNT1 O60563 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
CDK9 P50750 2/20 0.41
NR3C1 P04150 1/20 0.41
CSF1R P07333 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
IKBKB O14920 1/20 0.38
MET P08581 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
SCHEMBL3295049 0.84 NEK2 (0.43) NEK2KDRPKMYT1CCNT1CCNE1
SCHEMBL9612059 0.83 CA1 (0.44) NR3C1CA1CA2MMP1MMP2
SCHEMBL9612055 0.82 CA1 (0.52) NEK2CCNT1CCNE1CDK2CDK9
SCHEMBL9612063 0.79 ALDH1A1 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL9612056 0.79 ALDH1A1 (0.43) CA1CA2MMP1MMP2MMP9
SCHEMBL10915639 0.78 HTR6 (0.51) CA1CA2MMP1MMP2MMP9
SCHEMBL1824065 0.77 L3MBTL1 (0.57) KDRCA1CA2
SCHEMBL15939450 0.76 KDR (0.55) NEK2KDRPKMYT1CCNT1CCNE1
SCHEMBL1577595 0.76 ENPP2 (0.50) CA2MMP2
SCHEMBL20724726 0.76 NPY1R (0.45) KDR

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
EP-0119892-A1 Hydroxyl amine derivatives, their preparation, their use as growth factors for vegetables and compositions thereof ROUSSEL-UCLAF (FR) 1984-09-26 EP disclosed