SCHEMBL8557213

SCHEMBL8557213

Cc1ccc(-c2nc(Cc3ccccc3)oc2NS(=O)(=O)c2ccccc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MALT1 Q9UDY8 1/20 0.44
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.41
SLC40A1 Q9NP59 4/20 0.40
TSHR P16473 1/20 0.40
LIMK2 P53671 3/20 0.40
EDNRB P24530 4/20 0.38
EDNRA P25101 4/20 0.38
KIT P10721 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL8556990 0.92 MAPT (0.47) MAPTALDH1A1MALT1TP53LMNA
SCHEMBL8557990 0.91 MAPT (0.46) MAPTALDH1A1LMNASLC40A1TSHR
SCHEMBL8561399 0.91 ALDH1A1 (0.49) MAPTALDH1A1LMNASLC40A1TSHR
SCHEMBL8559259 0.88 MAPT (0.47) MAPTALDH1A1TP53LMNASLC40A1
SCHEMBL8561410 0.87 PTGS2 (0.47) MAPTALDH1A1TP53LMNASLC40A1
SCHEMBL8556526 0.86 MAPT (0.46) MAPTALDH1A1MALT1LMNASLC40A1
SCHEMBL9025385 0.86 PTGS1 (0.43) MAPTALDH1A1LMNASLC40A1
SCHEMBL8555603 0.86 MAPT (0.48) MAPTALDH1A1LMNASLC40A1TSHR
SCHEMBL8558062 0.86 ALDH1A1 (0.47) MAPTALDH1A1LMNASLC40A1TSHR
SCHEMBL9025734 0.85 ALDH1A1 (0.44) MAPTALDH1A1TP53LMNASLC40A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP claimed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO claimed
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed