SCHEMBL5229344

SCHEMBL5229344

O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.51
SYK P43405 1/20 0.49
CCR2 P41597 1/20 0.48
CA2 P00918 1/20 0.48
PPARG P37231 1/20 0.47
GHSR Q92847 1/20 0.47
PIK3CG P48736 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KIT P10721 1/20 0.44
P2RX1 P51575 1/20 0.43
ACLY P53396 1/20 0.42
MCL1 Q07820 1/20 0.41
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
SLC22A11 Q9NSA0 1/20 0.40

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
SCHEMBL4190648 0.82 CCR2 (0.55) HDAC1SYKCCR2CA2GHSR
SCHEMBL16756206 0.81 HDAC1 (0.62) HDAC1SYKCCR2CA2GHSR
SCHEMBL4188720 0.76 CCR2 (0.64) HDAC1CCR2CA2GHSRKIT
SCHEMBL27790751 0.76 HDAC1 (0.52) HDAC1SYKCCR2CA2GHSR
SCHEMBL9569793 0.75 EPHX2 (0.48) HDAC1CCR2CA2MEN1KMT2A
SCHEMBL13653282 0.75 MCL1 (0.56) CCR2ACLYMCL1CDK1CCNB1
SCHEMBL5229993 0.75 PPARG (0.55) PPARGMEN1KMT2AP2RX1MAPT
SCHEMBL13653320 0.74 CCR2 (0.62) HDAC1SYKCCR2CA2GHSR
SCHEMBL5233621 0.74 SMN1; SMN2 (0.53) MEN1KMT2AP2RX1MAPTLMNA
SCHEMBL5228507 0.73 HTT (0.58) MEN1KMT2AP2RX1MAPTLMNA

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