SCHEMBL20076412

SCHEMBL20076412

C=C(Nc1ccc(F)c(N)c1F)c1cc(NC(=C)C2C(c3cc(F)c(F)c(F)c3)C2(Cl)Cl)ccc1C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL21021357 0.86 MEN1 (0.33) HTTLMNAHPGDMEN1KMT2A
SCHEMBL20076601 0.75 LMNA (0.34) HTTLMNAMEN1KMT2A
SCHEMBL21020711 0.75 MEN1 (0.36) HTTLMNAHPGDMEN1KMT2A
SCHEMBL21021115 0.75 IDH1 (0.30)
SCHEMBL20076786 0.74 BACE1 (0.33) HTTLMNAHPGDMEN1KMT2A
SCHEMBL21021436 0.74 HTT (0.37) HTTLMNAHPGDMEN1KMT2A
SCHEMBL18146832 0.74 KMT2A (0.43) HTTLMNAHPGDMEN1KMT2A
SCHEMBL18146641 0.74 KMT2A (0.43) HTTLMNAHPGDMEN1KMT2A
SCHEMBL18146638 0.74 KMT2A (0.43) HTTLMNAHPGDMEN1KMT2A
SCHEMBL20076383 0.73 SLC9A1 (0.35)

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