SCHEMBL29948441

SCHEMBL29948441

COCC(=O)Nc1c(F)ccc(C(=O)Nc2cc(NC(=O)[C@H]3[C@H](c4ccc(F)c(C(F)(F)F)c4)C3(Cl)Cl)ccc2Cl)c1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.40
HTT P42858 1/20 0.38
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
MAPT P10636 3/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
MAPK1 P28482 1/20 0.33
HPGD P15428 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
TMPRSS4 Q9NRS4 1/20 0.32
NTRK1 P04629 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
SCHEMBL24730158 1.00 BRAF (0.40) BRAFHTTMEN1KMT2AMAPT
SCHEMBL24730077 0.92 HTT (0.40) HTTMEN1KMT2AMAPTLMNA
SCHEMBL29948477 0.92 HTT (0.40) HTTMEN1KMT2AMAPTLMNA
SCHEMBL30739781 0.91 HTT (0.38) BRAFHTTMEN1KMT2AMAPT
SCHEMBL21015087 0.91 HTT (0.38) BRAFHTTMEN1KMT2AMAPT
SCHEMBL20051222 0.91 HTT (0.38) BRAFHTTMEN1KMT2AMAPT
SCHEMBL24730028 0.91 HTT (0.40) BRAFHTTMEN1KMT2AMAPT
SCHEMBL29948402 0.91 HTT (0.40) BRAFHTTMEN1KMT2AMAPT
SCHEMBL24730209 0.88 BRAF (0.39) BRAFMEN1KMT2AMAPTLMNA
SCHEMBL29948329 0.88 BRAF (0.39) BRAFMEN1KMT2AMAPTLMNA

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-4313939-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO Corteva Agriscience LLC (US) 2024-02-07 EP disclosed
WO-2022204080-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2022-09-29 WO disclosed