SCHEMBL28552196

SCHEMBL28552196

CCS(=O)(=O)Oc1cc(Cl)nc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 2/20 0.40
ALPL P05186 1/20 0.40
CA2 P00918 5/20 0.40
CA12 O43570 3/20 0.40
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP14 P50281 2/20 0.35
MMP7 P09237 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.33
YAP1 P46937 1/20 0.33
TEAD4 Q15561 1/20 0.33
TEAD2 Q15562 1/20 0.33
RAB9A P51151 1/20 0.33
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
ENPP2 Q13822 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
S1PR2 O95136 1/20 0.31

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
SCHEMBL28616310 0.79 ALPL (0.37) ALPIALPLCA2CA12MMP2
SCHEMBL28815392 0.78 ALPI (0.43) ALPIALPLCA2CA12MMP2
SCHEMBL28745298 0.72 ALPI (0.40) ALPIALPLCA2CA12MMP2
SCHEMBL15206423 0.72 ADORA2A (0.44) CA2CA1S1PR2
SCHEMBL27716170 0.72 MAPT (0.46) ALPIALPLALDH1A1
SCHEMBL27593441 0.71 CA2 (0.57) ALPIALPLCA2CA12MMP2
SCHEMBL4132581 0.71 YAP1 (0.41) ALPIALPLCA2CA12MMP2
SCHEMBL576200 0.71 MMP2 (0.55) ALPIALPLCA2CA12MMP2
SCHEMBL27845902 0.71 CA2 (0.36) ALPIALPLCA2CA12MMP2
SCHEMBL26666776 0.70 NQO1 (0.46) CA12SMN1; SMN2ALDH1A1RAB9ACA1

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
CN-112384509-A Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-02-19 CN disclosed