SCHEMBL11536638

SCHEMBL11536638

NS(=O)(=O)c1ccccc1-c1ccc(C(=O)O)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 5/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CYP2C9 P11712 1/20 0.41
MCL1 Q07820 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA1 P00915 7/20 0.40
CA2 P00918 7/20 0.40
CA9 Q16790 6/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
CA5A P35218 4/20 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
SCHEMBL11534949 0.77 KDM4E (0.64) KDM4EALDH1A1GAASMN1; SMN2RXFP1
SCHEMBL7276461 0.76 KDM4E (0.63) KDM4EALDH1A1GAASMN1; SMN2RXFP1
SCHEMBL15559032 0.75 CA1 (0.51) KDM4EALDH1A1GAASMN1; SMN2CYP2C9
SCHEMBL9754384 0.74 KDM4E (0.59) KDM4EALDH1A1GAASMN1; SMN2RXFP1
SCHEMBL4074628 0.73 KDM4E (1.00) KDM4EALDH1A1GAASMN1; SMN2RXFP1
SCHEMBL11537082 0.72 KDM4E (0.61) KDM4EALDH1A1GAASMN1; SMN2RXFP1
SCHEMBL31191409 0.70 CA1 (0.63) KDM4EALDH1A1SMN1; SMN2CYP2C9MCL1
SCHEMBL353738 0.70 CA1 (0.63) KDM4EALDH1A1SMN1; SMN2CYP2C9MCL1
SCHEMBL25148779 0.70 KDM4E (0.55) KDM4EALDH1A1GAASMN1; SMN2RXFP1
SCHEMBL4429820 0.70 KDM4E (0.93) KDM4EALDH1A1GAASMN1; SMN2RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4137408-A BACTERICIDES, ANTIBIOTICS WARNER-LAMBERT (US) 1979-01-30 US disclosed
US-4137408-A BACTERICIDES, ANTIBIOTICS WARNER-LAMBERT (US) 1979-01-30 US disclosed
US-4101661-A PENICILLINS, CEPHALOSPORINS WARNER-LAMBERT (US) 1978-07-18 US disclosed
US-4101661-A PENICILLINS, CEPHALOSPORINS WARNER-LAMBERT (US) 1978-07-18 US disclosed