SCHEMBL10695843

SCHEMBL10695843

CCN(CC)S(=O)(=O)c1cc(Br)c(N)c(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
LMNA P02545 3/20 0.54
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
CA9 Q16790 4/20 0.53
CA3 P07451 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL11144133 0.91 TSHR (0.54) TSHRLMNACA1CA2CA9
SCHEMBL11689696 0.89 CA1 (0.60) TSHRLMNACA1CA2CA9
SCHEMBL10694208 0.81 TSHR (0.54) TSHRLMNACA1CA2CA9
SCHEMBL10693294 0.81 CA12 (0.58) TSHRLMNACA1CA2CA9
SCHEMBL10692333 0.79 CA1 (0.59) LMNACA1CA2CA9CA3
SCHEMBL196097 0.79 SMN1; SMN2 (0.53) TSHRLMNASMN1; SMN2HTTALDH1A1
SCHEMBL11144907 0.78 VCAM1 (0.46) TSHRLMNACA1CA2CA9
SCHEMBL7212214 0.78 SMN1; SMN2 (0.58) TSHRLMNASMN1; SMN2HTTALDH1A1
SCHEMBL11689596 0.78 ALDH1A1 (0.58) TSHRLMNACA1CA2CA9
SCHEMBL10696321 0.76 CA2 (0.61) TSHRLMNACA1CA2CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4754024-A Fibre-reactive azo dyes containing vinylsulfonyl or analogous groups CIBA-GEIGY CORPORATION 1988-06-28 US disclosed
US-4379819-A OIL SOLUBLE MONOAZO DYE CIBA-GEIGY AG (CH) 1983-04-12 US disclosed