SCHEMBL20076441

SCHEMBL20076441

C=C(C)C1C(c2ccc(F)c(C)c2)C1(Cl)Cl

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.48
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
HTT P42858 3/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL20076404 0.87 SLC9A1 (0.50) SLC9A1HTR2AHTR2CHTR2BSLC6A2
SCHEMBL20076685 0.87 SLC9A1 (0.50) SLC9A1HTR2AHTR2CHTR2BSLC6A2
SCHEMBL21021820 0.85 SLC6A2 (0.35) SLC9A1HTTLMNAMEN1KMT2A
SCHEMBL20076385 0.83 SLC9A1 (0.59) SLC9A1HTR2AHTR2CHTR2BSLC6A2
SCHEMBL21021134 0.82 SLC9A1 (0.41) SLC9A1LMNAMEN1KMT2AALDH1A1
SCHEMBL20045619 0.82 SLC9A1 (0.54) SLC9A1HTTLMNAHPGDMEN1
SCHEMBL18157863 0.82 SLC9A1 (0.54) SLC9A1HTTLMNAHPGDMEN1
SCHEMBL20045114 0.82 SLC9A1 (0.54) SLC9A1HTTLMNAHPGDMEN1
SCHEMBL21022290 0.78 KDM1A (0.42)
SCHEMBL25870352 0.78 SLC9A1 (0.51) SLC9A1HTTLMNAHPGDMEN1

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
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed
WO-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed