SCHEMBL7022970

SCHEMBL7022970

C=CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.71
RORC P51449 8/20 0.71
NR1H3 Q13133 7/20 0.71
NR1I2 O75469 7/20 0.71
RORA P35398 3/20 0.71
RORB Q92753 3/20 0.71
NR1H4 Q96RI1 3/20 0.71
ALDH1A1 P00352 1/20 0.71
MAPT P10636 1/20 0.71
RXRA P19793 1/20 0.71
SREBF1 P36956 1/20 0.71
PSEN1 P49768 1/20 0.71
PSEN2 P49810 1/20 0.71
NR1I3 Q14994 1/20 0.71
APH1B Q8WW43 1/20 0.71
NCSTN Q92542 1/20 0.71
APH1A Q96BI3 1/20 0.71
PSENEN Q9NZ42 1/20 0.71
ESR1 P03372 1/20 0.59
RAB9A P51151 1/20 0.57

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
SCHEMBL14732110 0.83 RORC (1.00) NR1H2RORCNR1H3NR1I2RORA
T091317 SCHEMBL457231 0.83 RORC (1.00) NR1H2RORCNR1H3NR1I2RORA
SCHEMBL16731518 0.82 RORC (0.81) NR1H2RORCNR1H3NR1I2RORA
SCHEMBL14732184 0.82 RORC (0.77) NR1H2RORCNR1H3NR1I2RORA
SCHEMBL6063203 0.81 ESR1 (0.79) ALDH1A1MAPTESR1RAB9A
SCHEMBL9258205 0.80 ESR1 (0.89) NR1I2MAPTESR1RAB9A
SCHEMBL7016049 0.79 RORC (0.76) NR1H2RORCNR1H3NR1I2RORA
SCHEMBL7013542 0.79 RORC (0.76) NR1H2RORCNR1H3NR1I2RORA
SCHEMBL1678584 0.77 ESR1 (0.65) RORCNR1I2ALDH1A1MAPTESR1
SCHEMBL16063605 0.77 RORC (0.86) NR1H2RORCNR1H3NR1I2RORA

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-2003106435-A1 FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF SANKYO COMPANY, LIMITED (JP) 2003-12-24 WO disclosed