SCHEMBL8400822

SCHEMBL8400822

Bc1c(C)cc(S(=O)(=O)c2cc(C)c(B)c(C)c2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAPGEF4 Q8WZA2 5/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR6 P50406 6/20 0.33
PKM P14618 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL9001244 0.78 GAA (0.43) GAALMNATDP1RAPGEF4ALDH1A1
SCHEMBL896459 0.74 CYP3A4 (0.46) GAALMNATDP1RAPGEF4ALDH1A1
SCHEMBL2123970 0.74 SOS1 (0.44) GAALMNATDP1RAPGEF4ALDH1A1
SCHEMBL359985 0.74 CA1 (0.50) GAALMNARAPGEF4ALDH1A1MAPT
SCHEMBL3947257 0.74 ALDH1A1 (0.50) GAALMNATDP1RAPGEF4ALDH1A1
SCHEMBL2122582 0.74 CYP3A4 (0.46) GAALMNATDP1RAPGEF4ALDH1A1
SCHEMBL896767 0.74 SOS1 (0.44) GAALMNATDP1RAPGEF4ALDH1A1
SCHEMBL142565 0.74 CA1 (0.50) GAALMNARAPGEF4ALDH1A1MAPT
SCHEMBL8400899 0.70 POLB (0.43) GAALMNATDP1RAPGEF4ALDH1A1
SCHEMBL8137089 0.69 GAA (0.52) GAALMNARAPGEF4ALDH1A1MAPT

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
US-20120129076-A1 Novel Sulfonic Acid Group-Containing Segmented Block Copolymer and Use Thereof TOYO BOSEKI KABUSHIKI KAISHA (JP) 2012-05-24 US disclosed