SCHEMBL20082066

SCHEMBL20082066

CC(C)S(=O)(=NI)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ HTR6 P50406 1/20 0.41
▸ PSIP1 O75475 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA3 P07451 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ PLA2G7 Q13093 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA13 Q8N1Q1 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38

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
SCHEMBL18402598 0.81 KDM4E (0.43) KDM4EHTR6PSIP1SMN1; SMN2ALDH1A1
SCHEMBL20081720 0.81 CA12 (0.44) KDM4EHTR6PSIP1SMN1; SMN2ALDH1A1
SCHEMBL24394631 0.72 HSD11B1 (0.41) KDM4ESMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL20082065 0.71 HTR6 (0.46) KDM4EHTR6PSIP1SMN1; SMN2ALDH1A1
SCHEMBL778854 0.70 HTR6 (0.50) KDM4EHTR6PSIP1SMN1; SMN2ALDH1A1
SCHEMBL17527530 0.67 HTR6 (0.46) KDM4EHTR6PSIP1SMN1; SMN2ALDH1A1
SCHEMBL9412354 0.67 HTR6 (0.46) KDM4EHTR6PSIP1SMN1; SMN2ALDH1A1
SCHEMBL20081727 0.67 ALDH1A1 (0.39) KDM4EHTR6PSIP1SMN1; SMN2ALDH1A1
SCHEMBL7292002 0.66 HTR6 (0.50) KDM4EHTR6PSIP1SMN1; SMN2ALDH1A1
SCHEMBL4327138 0.66 HTR6 (0.50) KDM4EHTR6PSIP1SMN1; SMN2ALDH1A1

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-3177619-B1 2-(MORPHOLIN-4-YL)-1,7-NAPHTHYRIDINES Bayer Pharma AG (DE) 2018-04-25 — — EP disclosed
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