SCHEMBL6987271

SCHEMBL6987271

COc1ccc(S(=O)(=O)Oc2cc(-c3ccc(=O)n(C(C)C)n3)n(-c3ccccc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
NPY5R Q15761 1/20 0.40
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGS2 P35354 6/20 0.38
PTGS1 P23219 3/20 0.38
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 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
SCHEMBL6986812 0.84 ALDH1A1 (0.40) ALDH1A1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL6979346 0.80 ALDH1A1 (0.41) ALDH1A1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL6982469 0.80 CYP2C9 (0.39) ALDH1A1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL6985846 0.78 BCL2 (0.41) ALDH1A1KMT2AHTTSMN1; SMN2GAA
SCHEMBL6987183 0.77 TSHR (0.45) ALDH1A1HTTSMN1; SMN2
SCHEMBL6987419 0.75 ALDH1A1 (0.43) ALDH1A1HTTSMN1; SMN2
SCHEMBL6983706 0.74 HTT (0.36) ALDH1A1KMT2AHTTSMN1; SMN2GAA
SCHEMBL6986605 0.73 HTT (0.48) ALDH1A1KMT2AHTTSMN1; SMN2GAA
SCHEMBL6822342 0.73 LMNA (0.41) ALDH1A1POLBNPY5RLMNAHTT
SCHEMBL6990503 0.73 TSHR (0.39) ALDH1A1KMT2ALMNAHTTSMN1; 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
EP-1313733-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP disclosed
WO-2002018382-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-07 WO disclosed