SCHEMBL7247386

SCHEMBL7247386

O=c1cc(O)nc2c(OCCN3CCCCC3)cccn12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 1/20 0.45
KDM4E B2RXH2 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DRD2 P14416 2/20 0.43
DRD1 P21728 2/20 0.43
DRD3 P35462 2/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
HRH1 P35367 2/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
ABCB1 P08183 1/20 0.42
PKM P14618 1/20 0.41

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
SCHEMBL7246399 0.99 TDP1 (0.49) TDP1TSHRKDM4ESMN1; SMN2DRD2
SCHEMBL7236660 0.90 TDP1 (0.46) TDP1KDM4EDRD3ALDH1A1MEN1
SCHEMBL7239573 0.84 KDM4E (0.49) TDP1TSHRKDM4ESMN1; SMN2ALDH1A1
SCHEMBL15174765 0.71 GRM5 (0.52) KDM4ESMN1; SMN2KMT2A
SCHEMBL9183816 0.70 TSHR (0.54) TDP1TSHRKDM4ESMN1; SMN2DRD2
SCHEMBL14397182 0.69 TSHR (0.67) TDP1TSHRKDM4ESMN1; SMN2DRD2
SCHEMBL17808861 0.69 ALDH1A1 (0.55) TSHRKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL13050024 0.68 KDM4E (0.69) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL11029813 0.68 TDP1 (0.48) TDP1TSHRDRD2DRD1DRD3
SCHEMBL29573150 0.67 TDP1 (0.66) TDP1TSHRKDM4ESMN1; SMN2DRD2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030114449-A1 SACCHARIN DERIVATIVES AS ORALLY ACTIVE ELASTASE INHIBITORS SANOFI-SYNTHELABO (FR) 2003-06-19 US claimed
EP-1255756-A1 SACCHARIN DERIVATIVES AS ORALLY ACTIVE ELASTASE INHIBITORS SANOFI-SYNTHELABO (FR) 2002-11-13 EP claimed
WO-2001044245-A1 SACCHARIN DERIVATIVES AS ORALLY ACTIVE ELASTASE INHIBITORS SANOFI-SYNTHELABO (FR) 2001-06-21 WO claimed
US-20030114449-A1 SACCHARIN DERIVATIVES AS ORALLY ACTIVE ELASTASE INHIBITORS SANOFI-SYNTHELABO (FR) 2003-06-19 US disclosed
EP-1255756-A1 SACCHARIN DERIVATIVES AS ORALLY ACTIVE ELASTASE INHIBITORS SANOFI-SYNTHELABO (FR) 2002-11-13 EP disclosed
WO-2001044245-A1 SACCHARIN DERIVATIVES AS ORALLY ACTIVE ELASTASE INHIBITORS SANOFI-SYNTHELABO (FR) 2001-06-21 WO disclosed