SCHEMBL27874802

SCHEMBL27874802

NC(=O)c1ncc(S(=O)(=O)O)s1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 6/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ TSHR P16473 1/20 0.31
▸ MC4R P32245 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ MC3R P41968 1/20 0.31
▸ NNMT P40261 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ SIRT6 Q8N6T7 1/20 0.31
▸ LOX P28300 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
SCHEMBL1939405 0.84 CA2 (0.35) LOXL2ADORA3SLC6A3
SCHEMBL3474793 0.75 ADORA3 (0.55) LOXL2KDM4EADORA3SLC6A3TSHR
SCHEMBL5875752 0.74 ADORA3 (0.67) LOXL2ADORA3SLC6A3TSHRLOX
Hydrochloric Acid SCHEMBL28327830 0.73 ADORA3 (0.53) LOXL2KDM4EADORA3SLC6A3TSHR
SCHEMBL5875686 0.73 ADORA3 (0.49) LOXL2KDM4EADORA3SLC6A3SMN1; SMN2
SCHEMBL1348269 0.72 KDM4E (0.32) LOXL2KDM4EADORA3SLC6A3
SCHEMBL5875742 0.71 ADORA3 (0.47) LOXL2ADORA3SLC6A3SMN1; SMN2LOX
SCHEMBL2823118 0.71 LMNA (0.39) LOXL2KDM4EADORA3SLC6A3SMN1; SMN2
SCHEMBL15865702 0.71 HCAR2 (0.45) LOXL2KDM4EADORA3SLC6A3LOX
SCHEMBL1941169 0.70 ALOX5AP (0.39) LOXL2KDM4ESMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102725272-B Synthesis of substituted pyrazoline carboxamidine derivatives ABBOTT HEALTHCARE PRODUCTS BV 2015-07-15 — — CN disclosed
CN-102725272-A Synthesis of substituted pyrazoline carboxamidine derivatives ABBOTT HEALTHCARE PRODUCTS BV 2012-10-10 — — CN disclosed
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