SCHEMBL11253005

SCHEMBL11253005

COC(=O)c1ccc(-c2nc(Br)c(C(F)(F)F)[nH]2)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.53
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC3 O15379 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
PDK2 Q15119 2/20 0.39
P4HB P07237 1/20 0.39
PTPRC P08575 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL11251656 0.89 NOTUM (0.54) NOTUMLMNAALDH1A1KDM4EHTT
SCHEMBL11254979 0.88 LMNA (0.47) NOTUMLMNAALDH1A1KDM4EHTT
SCHEMBL11242243 0.87 ALDH1A1 (0.46) NOTUMLMNAALDH1A1KDM4EHTT
SCHEMBL11245992 0.84 HDAC3 (0.41) NOTUMHDAC3HDAC7HDAC10HDAC6
SCHEMBL11252856 0.81 MMP2 (0.55) NOTUMLMNAALDH1A1KDM4EHTT
SCHEMBL10907300 0.79 NOTUM (0.66) NOTUMLMNAALDH1A1KDM4EHTT
SCHEMBL11249142 0.79 NOTUM (0.39) NOTUMLMNAALDH1A1KDM4EHTT
SCHEMBL11260965 0.77 NOTUM (0.45) NOTUMLMNAALDH1A1KDM4EHTT
SCHEMBL11251007 0.77 SOS1 (0.40) NOTUMLMNAALDH1A1KDM4EHTT
SCHEMBL11246933 0.76 PTGES (0.43) HDAC3HDAC7HDAC10HDAC6

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