SCHEMBL19336586

SCHEMBL19336586

CSc1ccc(Cl)cc1N[S+]([O-])c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 11/20 0.47
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPT P10636 4/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ HTT P42858 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
SCHEMBL19336536 0.91 CCR2 (0.52) CCR2MEN1KMT2AMAPTADRA2A
SCHEMBL19336460 0.83 CCR2 (0.45) CCR2MEN1KMT2AMAPTADRA2A
SCHEMBL19336539 0.81 CCR2 (0.55) CCR2MEN1KMT2AMAPTADRA2A
SCHEMBL19336526 0.79 CCR2 (0.44) CCR2MEN1KMT2AMAPTADRA2A
SCHEMBL19336612 0.78 CCR2 (0.52) CCR2MEN1KMT2AADRA2AADRA2B
SCHEMBL19336525 0.77 CCR2 (0.50) CCR2MEN1KMT2AMAPTADRA2A
SCHEMBL19336461 0.77 CCR2 (0.56) CCR2NPC1RAB9A
SCHEMBL19336592 0.76 CCR2 (0.54) CCR2MEN1KMT2AMAPTADRA2A
SCHEMBL19336533 0.76 CCR2 (0.47) CCR2
SCHEMBL19336601 0.75 CCR2 (0.52) CCR2MEN1KMT2AMAPTADRA2A

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-3050873-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-09-13 — — EP disclosed
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