SCHEMBL19417337

SCHEMBL19417337

Bc1ccc2c(c1)Sc1cc(I)ccc1N2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 8/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAOA P21397 1/20 0.41
▸ SNCA P37840 4/20 0.40
▸ CASP3 P42574 1/20 0.38
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL19071782 0.81 MAOA (0.68) NOX1L3MBTL1MEN1ADRA2AADRA2B
SCHEMBL629053 0.81 MAOA (0.68) NOX1L3MBTL1MEN1ADRA2AADRA2B
SCHEMBL18018993 0.79 NOX1 (0.46) NOX1L3MBTL1MEN1ADRA2AADRA2B
SCHEMBL2669541 0.71 NOX1 (0.70) NOX1L3MBTL1MEN1ADRA2AADRA2B
SCHEMBL13445186 0.70 MAOA (0.68) NOX1L3MBTL1MEN1ADRA2AADRA2B
SCHEMBL29392464 0.67 MAOA (0.52) NOX1L3MBTL1MEN1ADRA2AADRA2B
SCHEMBL17109700 0.67 NOX1 (0.58) NOX1L3MBTL1MEN1HTR2CDRD3
SCHEMBL9419165 0.66 NOX1 (0.82) NOX1L3MBTL1MEN1ADRA2AADRA2B
SCHEMBL2495874 0.66 NOX1 (0.52) NOX1L3MBTL1MEN1ADRA2AADRA2B
Bromide SCHEMBL2586940 0.64 NOX1 (0.51) NOX1L3MBTL1MEN1ADRA2AADRA2B

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-3225610-A1 METHOD FOR MANUFACTURING COMPOUND Sumitomo Chemical Company, Limited (JP) 2017-10-04 — — EP disclosed
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