SCHEMBL11856491

SCHEMBL11856491

COC(=O)c1cc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.43
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
ATM Q13315 1/20 0.42
CFTR P13569 1/20 0.42
THRB P10828 5/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
THRA P10827 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
TTR P02766 1/20 0.39
PPOX P50336 1/20 0.39
LMNA P02545 1/20 0.39
SOS1 Q07889 1/20 0.39
P2RX1 P51575 1/20 0.39
TMPRSS4 Q9NRS4 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 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
SCHEMBL11858023 0.89 CFTR (0.45) NOTUMKMT2AMAPTATMCFTR
SCHEMBL11865317 0.86 MEN1 (0.49) KMT2ATHRBMRGPRX4THRATDP1
SCHEMBL11848309 0.86 TDP1 (0.55) KMT2AMAPTATMCFTRMRGPRX4
SCHEMBL11126204 0.83 THRB (0.44) KMT2ATHRBTHRATDP1MEN1
SCHEMBL8321859 0.80 MEN1 (0.46) KMT2ATHRBMRGPRX4THRATDP1
SCHEMBL8320672 0.80 MEN1 (0.39) KMT2ATHRBTHRATDP1MEN1
SCHEMBL8325245 0.79 HDAC3 (0.39) KMT2ATHRBTHRATDP1MEN1
SCHEMBL11854888 0.78 NPBWR1 (0.41) KMT2AMAPTTHRBTHRAMEN1
SCHEMBL11440623 0.78 THRB (0.46) THRBTHRANPBWR1MCHR1
SCHEMBL11854926 0.78 HAO1 (0.40) KMT2ATHRBTHRAMEN1NPBWR1

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
US-3957852-A HERBICIDES ISHIHARA SANGYO KAISHA LTD. (JA) 1976-05-18 US claimed
US-3957852-A HERBICIDES ISHIHARA SANGYO KAISHA LTD. (JA) 1976-05-18 US disclosed