SCHEMBL27727296

SCHEMBL27727296

O=S(=O)(O)c1nccnc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
SLC22A12 Q96S37 1/20 0.45
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
PDK1 Q15118 1/20 0.36
PDE10A Q9Y233 3/20 0.36
LIMK2 P53671 1/20 0.35
LMNA P02545 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
P4HTM Q9NXG6 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2910139 0.77 PTGS1 (0.43) PTGS1PTGS2SLC22A12SMN1; SMN2ALDH1A1
SCHEMBL5850523 0.76 PTGS1 (0.47) PTGS1PTGS2SLC22A12TSHRSMN1; SMN2
SCHEMBL460510 0.73 ALOX15 (0.50) PTGS1PTGS2SLC22A12SMN1; SMN2ALDH1A1
SCHEMBL27664892 0.73 ALOX15 (0.50) PTGS1PTGS2SLC22A12SMN1; SMN2ALDH1A1
SCHEMBL20569781 0.73 PTGS2 (0.39) PTGS1PTGS2SLC22A12TSHRSMN1; SMN2
SCHEMBL11708959 0.72 KMT2A (0.52) TSHRSMN1; SMN2ALDH1A1HPGDPDE10A
Hydrochloric Acid SCHEMBL4703144 0.71 ALOX15 (0.48) PTGS1PTGS2SLC22A12SMN1; SMN2ALDH1A1
SCHEMBL30021764 0.71 ALOX15 (0.48) PTGS1PTGS2SLC22A12SMN1; SMN2ALDH1A1
SCHEMBL14525924 0.69 ALDH1A1 (0.50) PTGS1PTGS2SLC22A12SMN1; SMN2ALDH1A1
SCHEMBL14525863 0.69 ALDH1A1 (0.50) PTGS1PTGS2SLC22A12SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101189028-B Identification and engineering of antibodies with variant Fc regions and methods of use MACROGENICS INC 2013-05-29 CN disclosed
CN-101189028-A Identification and engineering of antibodies with variant Fc regions and methods of use MACROGENICS INC (US) 2008-05-28 CN disclosed