SCHEMBL9026644

SCHEMBL9026644

CCCc1nc(-c2ccccc2)c(NS(=O)(=O)c2ccccc2)o1.CCOC(=O)c1nc(-c2ccccc2)c(NS(=O)(=O)c2ccccc2)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
CYP2C9 P11712 2/20 0.45
MEN1 O00255 2/20 0.45
TSHR P16473 1/20 0.45
TP53 P04637 4/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
THRB P10828 2/20 0.41
BLM P54132 1/20 0.41
PLEC Q15149 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 2/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.40
ADORA3 P0DMS8 3/20 0.39
MCL1 Q07820 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL8556794 0.92 KMT2A (0.52) KMT2ACYP2C9MEN1TSHRTP53
SCHEMBL8560795 0.87 EDNRB (0.43) KMT2ACYP2C9MEN1TSHRMAPT
SCHEMBL8556328 0.84 KDM4E (0.51) KMT2ACYP2C9MEN1TSHRTP53
SCHEMBL8560610 0.82 ALDH1A1 (0.45) KMT2ACYP2C9MEN1TSHRTP53
SCHEMBL8558805 0.82 ALDH1A1 (0.53) KMT2ACYP2C9MEN1TSHRTP53
SCHEMBL8560588 0.81 KDM4E (0.51) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL8558727 0.79 MAPT (0.45) KMT2AMEN1TP53MAPTSMN1; SMN2
SCHEMBL8558225 0.79 NR4A2 (0.48) KMT2ACYP2C9MEN1TSHRALDH1A1
SCHEMBL9025484 0.78 KDM4E (0.48) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL8557447 0.78 RXRA (0.59) TSHRKDM4EHPGDCYP2C19LMNA

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-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