SCHEMBL9754434

SCHEMBL9754434

Cc1cc(C)c(-c2cccc(F)c2C2=NC(C)(C)CO2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IL2 P60568 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
JAK2 O60674 1/20 0.35
TYK2 P29597 1/20 0.35
ATM Q13315 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ABL1 P00519 1/20 0.34
HPGD P15428 1/20 0.33
PGR P06401 1/20 0.33
CRHR1 P34998 1/20 0.33

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
SCHEMBL2886094 0.83 KDM4E (0.53) IL2KDM4ELMNAMAPTHTT
SCHEMBL2886677 0.83 KDM4E (0.59) IL2KDM4ELMNAMAPTHTT
SCHEMBL20971905 0.77 KDM4E (0.49) IL2KDM4ELMNAMAPTHTT
SCHEMBL18987369 0.76 KDM4E (0.51) IL2KDM4ELMNAMAPTHTT
SCHEMBL31048531 0.75 KDM4E (0.53) IL2KDM4ELMNAMAPTHTT
SCHEMBL7223905 0.75 KDM4E (0.53) IL2KDM4ELMNAMAPTHTT
SCHEMBL610146 0.75 LMNA (0.43) IL2KDM4ELMNAMAPTHTT
Iodide SCHEMBL9754639 0.74 PGR (0.32) IL2PGR
SCHEMBL10746575 0.73 KDM4E (0.51) IL2KDM4ELMNAMAPTHTT
SCHEMBL7223413 0.72 KDM4E (0.47) IL2KDM4ELMNAMAPTHTT

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-1991013065-A1 6-ARYL-2-SUBSTITUTED BENZOIC ACID HERBICIDES FMC CORPORATION (US) 1991-09-05 WO disclosed