SCHEMBL8556797

SCHEMBL8556797

CCOC(=O)c1nc(-c2ccccc2)c(-c2ccccc2S(N)(=O)=O)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 2/20 0.46
ADORA3 P0DMS8 4/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
KMT2A Q03164 2/20 0.43
NR4A2 P43354 4/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
RXRA P19793 3/20 0.42
RXRB P28702 3/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TARBP2 Q15633 1/20 0.41
RXRG P48443 1/20 0.41

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
SCHEMBL8558012 0.91 CA1 (0.44) ALDH1A1HSD17B10ADORA3CA1CA2
SCHEMBL8560591 0.88 NR4A2 (0.46) ALDH1A1HSD17B10CA1CA2CA12
SCHEMBL8546270 0.84 NR4A2 (0.49) ALDH1A1NR4A2KDM4ERXRARXRB
SCHEMBL8554889 0.84 NR4A2 (0.62) ALDH1A1CA1CA2CA12CA9
SCHEMBL7505599 0.83 CA1 (0.58) ALDH1A1HSD17B10ADORA3CA1CA2
SCHEMBL7499057 0.83 CA1 (0.58) ALDH1A1HSD17B10ADORA3CA1CA2
SCHEMBL8558809 0.83 NR4A2 (0.50) ALDH1A1KMT2ANR4A2KDM4EHPGD
SCHEMBL2117681 0.82 NR4A2 (0.63) ALDH1A1HSD17B10ADORA3KMT2ANR4A2
SCHEMBL8556331 0.81 KDM4E (0.56) ALDH1A1KMT2ANR4A2KDM4EHPGD
SCHEMBL8560614 0.80 RXRA (0.52) ALDH1A1KMT2ANR4A2KDM4EHPGD

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