SCHEMBL21020519

SCHEMBL21020519

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
HTR2C P28335 3/20 0.39
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39
ALDH1A1 P00352 1/20 0.37
GUSB P08236 1/20 0.36
DRD2 P14416 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.35
HTR1A P08908 1/20 0.35
PBRM1 Q86U86 1/20 0.34
CES2 O00748 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
SCHEMBL20076772 0.87 KDM1A (0.40) KDM1ARCOR1HTR2CHTR2AHTR2B
SCHEMBL21020516 0.82 KDM1A (0.34) KDM1ARCOR1HTR2CMAPTHTT
SCHEMBL21022192 0.78 SLC9A1 (0.30)
SCHEMBL21399860 0.73 HTR2C (0.42) KDM1ARCOR1HTR2CHTR2AHTR2B
SCHEMBL18143766 0.71 CES2 (0.42) KDM1AHTR2CALDH1A1GUSBLMNA
SCHEMBL18157786 0.71 CES2 (0.42) KDM1AHTR2CALDH1A1GUSBLMNA
SCHEMBL18143768 0.71 CES2 (0.42) KDM1AHTR2CALDH1A1GUSBLMNA
SCHEMBL21021003 0.71 HTR2C (0.43) KDM1ARCOR1HTR2CHTR2AHTR2B
SCHEMBL21020525 0.71 CES2 (0.34) CES2
SCHEMBL21021833 0.70 SLC9A1 (0.48) LMNA

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
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed