SCHEMBL20076772

SCHEMBL20076772

C=C(C)C1C(c2cccc(C(F)(F)F)c2)C1(Cl)Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
HTR2C P28335 3/20 0.39
MGLL Q99685 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
GUSB P08236 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2B P41595 1/20 0.37
DRD2 P14416 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.36
IDH2 P48735 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL21020519 0.87 KDM1A (0.39) KDM1ARCOR1HTR2CALDH1A1LMNA
SCHEMBL18157786 0.81 CES2 (0.42) KDM1AHTR2CMGLLALDH1A1LMNA
SCHEMBL18143766 0.81 CES2 (0.42) KDM1AHTR2CMGLLALDH1A1LMNA
SCHEMBL18143768 0.81 CES2 (0.42) KDM1AHTR2CMGLLALDH1A1LMNA
SCHEMBL30739738 0.80 CES2 (0.41) KDM1ARCOR1HTR2CMGLLALDH1A1
SCHEMBL21022290 0.76 KDM1A (0.42) KDM1ADRD2
SCHEMBL21399860 0.74 HTR2C (0.42) KDM1ARCOR1HTR2CALDH1A1LMNA
SCHEMBL21021169 0.74 MEN1 (0.31) LMNAMAPTMEN1MAPK1KMT2A
SCHEMBL21021003 0.72 HTR2C (0.43) KDM1ARCOR1HTR2CALDH1A1LMNA
SCHEMBL21020525 0.72 CES2 (0.34)

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-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed