SCHEMBL27614745

SCHEMBL27614745

NC(=O)c1ccc(C(F)(F)F)cc1.O=S(=O)(O)c1cc(Br)c(Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
P2RY14 Q15391 2/20 0.37
HSD11B1 P28845 1/20 0.37
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
XBP1 P17861 1/20 0.36
MAP2K4 P45985 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
CASP1 P29466 1/20 0.36
GSK3B P49841 2/20 0.35
PTPN1 P18031 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
GRIN2B Q13224 1/20 0.35
DHODH Q02127 1/20 0.35
TRPM8 Q7Z2W7 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
SCHEMBL27614618 0.82 TTR (0.43) MAOBMAPTNPSR1HTTLMNA
SCHEMBL2914595 0.77 FBP1 (0.44)
Hydrochloric Acid SCHEMBL27779742 0.75 FBP1 (0.43)
SCHEMBL5229776 0.72 MEN1 (0.55) MAPTCA2
SCHEMBL171651 0.72 CES2 (0.67) MAOBP2RY14CES2CES1MAP2K4
SCHEMBL5226953 0.70 CYP19A1 (0.48) MAPTHTTRAB9ALMNAPOLB
Hydrochloric Acid SCHEMBL8491584 0.70 CES2 (0.64) MAOBP2RY14CES2CES1MAP2K4
Water SCHEMBL27804326 0.70 CES2 (0.64) MAOBP2RY14CES2CES1MAP2K4
Bromide SCHEMBL28812419 0.70 CES2 (0.64) MAOBP2RY14CES2CES1MAP2K4
Hydrochloric Acid SCHEMBL4376063 0.70 CES2 (0.64) MAOBP2RY14CES2CES1MAP2K4

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
CN-1665802-A Bisarylsulfonamide compounds and their use in cancer therapy CYCLACEL LTD (GB) 2005-09-07 CN disclosed