SCHEMBL7239573

SCHEMBL7239573

O=c1cc(O)nc2c(OCCCN3CCOCC3)cccn12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
USP2 O75604 1/20 0.48
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
EPHX2 P34913 3/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
POLB P06746 1/20 0.42
ABCB1 P08183 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42

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 0.85 TDP1 (0.49) KDM4ECYP2D6CYP1A2CYP2C19TSHR
SCHEMBL7247386 0.84 TDP1 (0.50) KDM4ETSHRALDH1A1SMN1; SMN2TDP1
SCHEMBL7236660 0.83 TDP1 (0.46) KDM4EALDH1A1TDP1POLBABCB1
SCHEMBL15173508 0.72 PRKDC (0.56) KDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL17443426 0.72 KDM4E (0.69) KDM4EUSP2CYP2D6CYP1A2CYP2C19
SCHEMBL17808860 0.69 KMT2A (0.53) KDM4ECYP2D6CYP2C19TSHRALDH1A1
SCHEMBL13752191 0.69 PIK3CB (0.68) PIK3CDPIK3CAPIK3CB
SCHEMBL4265430 0.68 KDM4E (0.63) KDM4EUSP2CYP2D6CYP1A2CYP2C19
SCHEMBL17808870 0.68 KMT2A (0.46) KDM4EUSP2ALDH1A1PIK3CDPIK3CA
SCHEMBL3454630 0.68 USP2 (0.67) KDM4EUSP2CYP2D6CYP1A2CYP2C19

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 4 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