SCHEMBL11256288

SCHEMBL11256288

COC(=O)c1cc(F)c(-c2nc(Br)c(C(F)(F)F)[nH]2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.40
PDK2 Q15119 4/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
RHEB Q15382 1/20 0.37
TRPV1 Q8NER1 1/20 0.35
POLB P06746 2/20 0.34
PDK1 Q15118 2/20 0.34
PDK3 Q15120 2/20 0.34
PDK4 Q16654 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
CASP3 P42574 1/20 0.34
KMT2A Q03164 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34

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
SCHEMBL11260965 0.92 NOTUM (0.45) NOTUMPDK2KDM4EALDH1A1LMNA
SCHEMBL11255135 0.88 NOTUM (0.44) NOTUMPDK2KDM4EALDH1A1LMNA
SCHEMBL11254942 0.85 PTGES (0.33) PTGES
SCHEMBL11242243 0.81 ALDH1A1 (0.46) NOTUMPDK2KDM4EALDH1A1LMNA
SCHEMBL11254979 0.79 LMNA (0.47) NOTUMPDK2KDM4EALDH1A1LMNA
SCHEMBL11251809 0.79 PTGES (0.34) HTTPTGES
SCHEMBL11252326 0.78 PTGES (0.34) PTGES
SCHEMBL11261743 0.78 PTGES (0.36) PTGES
SCHEMBL11257668 0.77 PTGES (0.34) NOTUMTRPV1PTGES
SCHEMBL11244118 0.76 CBFB (0.34) PTGES

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
US-4314844-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1982-02-09 US disclosed