SCHEMBL5230625

SCHEMBL5230625

Cc1[nH]c(OC(=O)O)c(C)c1S(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 2/20 0.39
P2RX1 P51575 1/20 0.39
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
PPARG P37231 1/20 0.37
IDH1 O75874 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CYP2D6 P10635 1/20 0.35
ACP1 P24666 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
SCHEMBL5230189 0.82 MAPT (0.41) MAPTCYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL15761595 0.74 MAPK1 (0.52) MAPTCYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL25012803 0.71 P2RX1 (0.46) MAPTCYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL30233704 0.71 P2RX1 (0.46) MAPTCYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL20421281 0.71 LMNA (0.54) MAPTCYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL30233930 0.70 P2RX1 (0.44) MAPTCYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL25012804 0.70 P2RX1 (0.44) MAPTCYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL21135362 0.69 PLA2G1B (0.51) MAPTCYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL15756000 0.69 CYP1A2 (0.61) MAPTCYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL15761594 0.69 MAPT (0.74) MAPTCYP1A2CYP3A4MAPK1CYP2C19

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
EP-1519932-B1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY CYCLACEL LTD (GB) 2007-10-03 EP claimed