SCHEMBL5229967

SCHEMBL5229967

O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Br)c(Cl)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.47
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
FBP1 P09467 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CDK7 P50613 2/20 0.39
CCNH P51946 2/20 0.39
CCNA1 P78396 2/20 0.39
PPARG P37231 1/20 0.39
CCND1 P24385 1/20 0.39
CDK6 Q00534 1/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 2/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL5229776 0.88 MEN1 (0.55) FBP1MEN1KMT2AMAPTTP53
SCHEMBL5235859 0.86 PLA2G1B (0.47) P2RX1PLA2G1BATG4BMEN1KMT2A
SCHEMBL5230476 0.81 FBP1 (0.44) FBP1CDK1CCNB1CCNA2CDK2
SCHEMBL5230424 0.79 ALDH1A1 (0.49) P2RX1PLA2G1BATG4BMEN1KMT2A
SCHEMBL5233621 0.78 SMN1; SMN2 (0.53) P2RX1MEN1KMT2AMAPTPTGES2
SCHEMBL5228507 0.77 HTT (0.58) P2RX1PLA2G1BATG4BMEN1KMT2A
SCHEMBL5231576 0.77 MAPT (0.49) FBP1MEN1KMT2ACDK1CCNB1
SCHEMBL5831691 0.77 FBP1 (0.39) FBP1MEN1KMT2AMCL1RAD51
SCHEMBL6615454 0.76 MCL1 (0.38) FBP1MCL1RAD51PTGES2ACLY
SCHEMBL6617119 0.75 CCR2 (0.41) FBP1MEN1KMT2AMCL1RAD51

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