SCHEMBL8019200

SCHEMBL8019200

C=C(c1ccc(NC(=O)c2ccc(OC3CCOCC3)c(S(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)O)c1ccc(NC(=O)c2ccc(OC3CCOCC3)c(S(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.55
KMT2A Q03164 8/20 0.55
MAPK1 P28482 7/20 0.55
ALDH1A1 P00352 7/20 0.55
MEN1 O00255 6/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
TSHR P16473 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 2/20 0.55
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.51
USP2 O75604 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 3/20 0.49

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
SCHEMBL7665004 0.87 LMNA (0.54) LMNAKMT2AMAPK1ALDH1A1MEN1
SCHEMBL7665133 0.87 LMNA (0.54) LMNAKMT2AMAPK1ALDH1A1MEN1
SCHEMBL8023043 0.82 LMNA (0.55) LMNAKMT2AMAPK1ALDH1A1MEN1
SCHEMBL8019190 0.81 RAB9A (0.66) LMNAKMT2AMAPK1ALDH1A1MEN1
SCHEMBL8008535 0.81 RAB9A (0.65) LMNAKMT2AMAPK1ALDH1A1MEN1
SCHEMBL8023083 0.80 RAB9A (0.56) LMNAKMT2AMAPK1ALDH1A1MEN1
SCHEMBL8019132 0.80 SMN1; SMN2 (0.53) LMNAKMT2AMAPK1ALDH1A1MEN1
SCHEMBL8021345 0.79 KMT2A (0.66) LMNAKMT2AMAPK1ALDH1A1MEN1
SCHEMBL7666243 0.79 L3MBTL1 (0.73) LMNAKMT2AMAPK1ALDH1A1MEN1
SCHEMBL7691765 0.79 MAPK1 (0.59) LMNAKMT2AMAPK1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000058277-A1 ARYL SULFONIC ACIDS AND DERIVATIVES AS FSH ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-05 WO disclosed