SCHEMBL8675683

SCHEMBL8675683

O=S(=O)(Cl)c1c(F)c(F)c(F)c(F)c1F.O=S(=O)(Cl)c1cc(Cl)ccc1Cl.O=S(=O)(Cl)c1cccc2cccnc12.O=S(=O)(Cl)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 10/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
CNR1 P21554 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MAPK1 P28482 1/20 0.39
CA9 Q16790 1/20 0.39
ATM Q13315 1/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL8590457 0.89 MAPK1 (0.48) SLC40A1KMT2AMEN1CA1CA2
SCHEMBL8703196 0.80 MAPK1 (0.58) SLC40A1KMT2AMEN1CA1CA2
SCHEMBL51046 0.73 MAPK1 (0.68) SLC40A1KMT2AMEN1CA1CA2
SCHEMBL29663898 0.73 MAPK1 (0.68) SLC40A1KMT2AMEN1CA1CA2
SCHEMBL3649176 0.68 KDM4E (0.45) CNR1GAAALDH1A1KDM4E
SCHEMBL6894312 0.67 GLO1 (0.61) SLC40A1KMT2AMEN1CA1CA2
SCHEMBL8734368 0.67 ALDH1A1 (0.55) KMT2AMEN1CA1CA2MAPK1
SCHEMBL28490306 0.67 GAA (0.51) SLC40A1KMT2AMEN1CA1CA2
SCHEMBL3649719 0.66 FBP1 (0.38) KMT2AMEN1CNR1CA1CA2
SCHEMBL14919762 0.66 MEN1 (0.73) SLC40A1KMT2AMEN1ATMGAA

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-0880558-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1998-12-02 EP disclosed
WO-1997026300-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1997-07-24 WO disclosed