SCHEMBL8559468

SCHEMBL8559468

COc1cc(-c2nc(Cc3ccccc3)oc2NS(=O)(=O)c2ccccc2)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.43
SCN9A Q15858 5/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 2/20 0.41
SLC40A1 Q9NP59 2/20 0.41
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PIK3CD O00329 1/20 0.39
TSHR P16473 2/20 0.38
GGT1 P19440 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CYP2C9 P11712 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL9025121 0.95 ALDH1A1 (0.40) ALDH1A1MAPTLMNASCN9AMEN1
SCHEMBL8561122 0.92 MAPT (0.44) ALDH1A1MAPTLMNASCN9AMEN1
SCHEMBL8559957 0.91 MAPT (0.47) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL9025116 0.89 MAPT (0.42) ALDH1A1MAPTLMNASCN9ASLC40A1
SCHEMBL8559393 0.88 KMO (0.47) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL8558062 0.87 ALDH1A1 (0.47) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL9026442 0.87 ALDH1A1 (0.46) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL8561410 0.86 PTGS2 (0.47) ALDH1A1MAPTLMNAMAPK1SLC40A1
SCHEMBL8558989 0.86 ALDH1A1 (0.46) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL8559259 0.85 MAPT (0.47) ALDH1A1MAPTLMNASLC40A1HSD17B10

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