SCHEMBL20008189

SCHEMBL20008189

CNc1ccc(S(=O)(=O)C(=O)OCc2ccccc2)cc1S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
CA1 P00915 6/20 0.39
CA2 P00918 6/20 0.39
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 2/20 0.37
HTR6 P50406 1/20 0.37
MEN1 O00255 1/20 0.36
ADAMTS4 O75173 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
ADAM17 P78536 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36

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
SCHEMBL20008194 0.78 ALDH1A1 (0.46) LMNAALDH1A1KMT2ACA1CA2
SCHEMBL20624869 0.76 CA1 (0.40) LMNAALDH1A1KMT2ACA1CA2
SCHEMBL3392315 0.74 LMNA (0.62) LMNAALDH1A1KMT2ACA1CA2
SCHEMBL19824655 0.73 ALDH1A1 (0.49) LMNAALDH1A1KMT2ACA1CA2
SCHEMBL8981247 0.73 TIMP3 (0.51) LMNAALDH1A1KMT2ACA1CA2
SCHEMBL23026138 0.71 MAOB (0.55) LMNAALDH1A1KMT2ARAB9AMAPT
SCHEMBL20009200 0.71 RAB9A (0.43) LMNAALDH1A1KMT2ACA1CA2
SCHEMBL26812910 0.69 ALDH1A1 (0.55) LMNAALDH1A1KMT2ACA1CA2
SCHEMBL18679956 0.68 ALDH1A1 (0.57) LMNAALDH1A1KMT2ACA1CA2
SCHEMBL22702705 0.68 AR (0.50) ALDH1A1KMT2ACA1CA2CA12

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-20180086918-A1 MIXTURES OF REACTIVE DYES AND THEIR USE FOR THE DYING OR PRINTING FIBRE MATERIALS HUNTSMAN INTERNATIONAL LLC 2018-03-29 US disclosed