SCHEMBL19908100

SCHEMBL19908100

CC(C)=C/C=C(\C)S(N)(=O)=O

nearest known ligand 0.30

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.30
CA2 P00918 1/20 0.30
TSHR P16473 1/20 0.30
NT5E P21589 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL22272446 0.77
SCHEMBL22183607 0.75 TDP1 (0.31)
SCHEMBL8091313 0.73
SCHEMBL20692190 0.73
SCHEMBL8091314 0.73
SCHEMBL10289700 0.71
SCHEMBL19931193 0.69
SCHEMBL134414 0.67
SCHEMBL22618929 0.65
SCHEMBL16246234 0.64

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-3287461-A1 IMIDAZO ISOINDOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2018-02-28 EP disclosed