SCHEMBL8560735

SCHEMBL8560735

COc1ccc(-c2oc(Cc3ccccc3)nc2NS(=O)(=O)c2ccccc2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.43
PTGS1 P23219 3/20 0.43
MAPT P10636 5/20 0.42
SLC40A1 Q9NP59 1/20 0.41
PIK3CD O00329 1/20 0.41
HTR6 P50406 1/20 0.40
PI4KB Q9UBF8 3/20 0.40
ALDH1A1 P00352 1/20 0.40
KAT7 O95251 1/20 0.40
KAT6B Q8WYB5 1/20 0.40
KAT6A Q92794 1/20 0.40
KAT5 Q92993 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
POLB P06746 1/20 0.39
CYP17A1 P05093 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 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
SCHEMBL9026371 0.95 KMT2A (0.41) PTGS2PTGS1MAPTSLC40A1PIK3CD
SCHEMBL8559429 0.91 AAK1 (0.45) MAPTSLC40A1PI4KBALDH1A1KAT7
SCHEMBL8560184 0.89 MAPT (0.46) PTGS2PTGS1MAPTSLC40A1PI4KB
SCHEMBL8554941 0.88 MAPT (0.41) MAPTSLC40A1ALDH1A1TSHRLMNA
SCHEMBL8558562 0.87 MAPT (0.43) MAPTSLC40A1ALDH1A1KAT7KAT6B
SCHEMBL8555756 0.86 MAPT (0.46) MAPTSLC40A1PI4KBALDH1A1KAT7
SCHEMBL8559236 0.85 KMT2A (0.47) MAPTALDH1A1SMN1; SMN2TSHRTP53
SCHEMBL8561410 0.85 PTGS2 (0.47) PTGS2PTGS1MAPTSLC40A1HTR6
SCHEMBL8556972 0.84 ALDH1A1 (0.49) MAPTALDH1A1POLBSMN1; SMN2TP53
SCHEMBL8559996 0.83 CCNT1 (0.41) MAPTSLC40A1PIK3CDALDH1A1KAT7

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
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed