SCHEMBL11330232

SCHEMBL11330232

C=CS(=O)(=O)c1cc(Br)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 4/20 0.42
EDNRA P25101 4/20 0.42
KMT2A Q03164 1/20 0.42
TGM2 P21980 1/20 0.38
LMNA P02545 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
EGFR P00533 1/20 0.35
TSHR P16473 1/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCNT1 O60563 1/20 0.33
FLT3 P36888 1/20 0.33
CDK9 P50750 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IDH1 O75874 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL11140861 0.81 ALDH1A1 (0.44) EDNRBEDNRAKMT2ALMNATSHR
SCHEMBL6465 0.79 EDNRB (0.45) EDNRBEDNRAKMT2ALMNACA1
SCHEMBL11329213 0.78 CDK1 (0.46) LMNAALDH1A1IDH1GAA
SCHEMBL11022458 0.78 L3MBTL1 (0.47) KMT2ALMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL11330213 0.77 SMN1; SMN2 (0.55) EDNRBEDNRAKMT2ATSHRGLA
Hydrochloric Acid SCHEMBL28847054 0.77 EDNRB (0.44) EDNRBEDNRAKMT2ALMNACA1
SCHEMBL265203 0.76 EDNRB (0.46) EDNRBEDNRAKMT2ALMNACA1
SCHEMBL9196907 0.76 EDNRB (0.46) EDNRBEDNRAKMT2ALMNACA1
SCHEMBL3276015 0.76 RAPGEF4 (0.38) KMT2ALMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL11334756 0.75 ALDH1A1 (0.44) LMNATSHRSMN1; SMN2ALDH1A1L3MBTL1

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-4260552-A INSECTICIDES, HERBICIDES UNIROYAL, INC. (US) 1981-04-07 US disclosed
US-4160846-A Method for controlling insects with tetrasubstituted organotin compounds UNIROYAL, INC. (US) 1979-07-10 US disclosed