SCHEMBL6165422

SCHEMBL6165422

COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)N(C(=O)N(C3CCCCC3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc1)C(=O)C2(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
ABCC3 O15438 1/20 0.60
ABCC4 O15439 1/20 0.60
NR1I2 O75469 1/20 0.60
ABCB11 O95342 1/20 0.60
LMNA P02545 1/20 0.60
NR3C1 P04150 1/20 0.60
CYP3A4 P08684 1/20 0.60
RARA P10276 1/20 0.60
RARB P10826 1/20 0.60
CYP2C9 P11712 1/20 0.60
RARG P13631 1/20 0.60
HPGD P15428 1/20 0.60
TBXA2R P21731 1/20 0.60
HTR2A P28223 1/20 0.60
NR1H2 P55055 1/20 0.60
PDE4D Q08499 1/20 0.60
NR1H3 Q13133 1/20 0.60
PDE3A Q14432 1/20 0.60
NR1I3 Q14994 1/20 0.60

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
SCHEMBL10281162 0.78 CYP3A4 (0.76) KDM4EABCC3ABCC4NR1I2ABCB11
SCHEMBL11929012 0.78 CYP3A4 (0.76) KDM4EABCC3ABCC4NR1I2ABCB11
SCHEMBL18388618 0.78 CYP3A4 (0.75) KDM4EABCC3ABCC4NR1I2ABCB11
SCHEMBL20369287 0.76 CYP3A4 (0.72) KDM4EABCC3ABCC4NR1I2ABCB11
Gliquidone SCHEMBL37769 0.75 LMNA (1.00) KDM4EABCC3ABCC4NR1I2ABCB11
Gliquidone SCHEMBL29465034 0.75 LMNA (1.00) KDM4EABCC3ABCC4NR1I2ABCB11
Gliquidone SCHEMBL15669239 0.75 LMNA (1.00) KDM4EABCC3ABCC4NR1I2ABCB11
Gliquidone SCHEMBL676846 0.74 LMNA (0.98) KDM4EABCC3ABCC4NR1I2ABCB11
SCHEMBL18007713 0.73 KDM4E (0.62) KDM4EABCC3ABCC4NR1I2ABCB11
SCHEMBL25866045 0.71 CYP3A4 (0.75) KDM4EABCC3ABCC4NR1I2ABCB11

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-1224165-B1 NOVEL COMPOUNDS NEW PHARMA RES SWEDEN AB (SE) 2005-12-14 EP disclosed
US-6875764-B1 Urea and thiourea compounds useful for treatment of coccidiosis NEW PHARMA RESEARCH SWEDEN AB (SE) 2005-04-05 US disclosed