SCHEMBL21021997

SCHEMBL21021997

C=Cc1cc(Cl)cc(C2C(C(=O)Nc3ccc(Cl)c(C)c3)C2(Cl)Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
ALDH1A1 P00352 2/20 0.48
RECQL P46063 1/20 0.48
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 5/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
HSP90AA1 P07900 1/20 0.33
G6PD P11413 1/20 0.33

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
SCHEMBL21021126 0.89 MEN1 (0.56) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL21021994 0.89 MEN1 (0.56) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL21022497 0.88 MEN1 (0.35) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL21021988 0.88 MEN1 (0.43) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL18147610 0.84 MEN1 (0.49) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL18160394 0.84 MEN1 (0.49) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL18147608 0.84 MEN1 (0.49) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL18146765 0.82 MEN1 (0.53) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL18146769 0.82 MEN1 (0.53) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL18146766 0.82 MEN1 (0.53) MEN1KMT2AALDH1A1RECQLLMNA

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