SCHEMBL13816038

SCHEMBL13816038

CS(=O)(=O)CCN1CCN(c2ccc(N=O)cc2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
DRD2 P14416 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
ADRA1B P35368 3/20 0.39
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
HTR1A P08908 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.37
DRD4 P21917 1/20 0.37
GRM2 Q14416 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
SLC6A9 P48067 1/20 0.36
HTR7 P34969 2/20 0.36
KMT2A Q03164 1/20 0.36
ADORA2A P29274 1/20 0.35
PKM P14618 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL1641810 0.83 MAPT (0.52) MAPTDRD2ALDH1A1LMNAADRA1B
SCHEMBL12464187 0.81 ALDH1A1 (0.48) MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL29037852 0.80 KDM4E (0.50) MAPTALDH1A1LMNASMN1; SMN2HSD17B10
SCHEMBL1642194 0.78 ALDH1A1 (0.68) MAPTALDH1A1LMNAKDM4ESLC6A9
SCHEMBL1725714 0.74 ALDH1A1 (0.61) MAPTALDH1A1LMNAKDM4ESLC6A9
SCHEMBL12848675 0.73 ALDH1A1 (0.54) MAPTALDH1A1SMN1; SMN2SLC6A9KMT2A
SCHEMBL10157382 0.72 ALDH1A1 (0.44) ALDH1A1HTR1AKDM4E
SCHEMBL12128903 0.71 HPGD (0.52) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL8736858 0.71 MAPT (0.43) MAPTALDH1A1LMNASMN1; SMN2HTR7
SCHEMBL16026653 0.69 SLC6A9 (0.56) MAPTDRD2ALDH1A1LMNASLC6A9

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
WO-2009076140-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 WO disclosed