SCHEMBL21020814

SCHEMBL21020814

C=C(Nc1ccc(Cl)c(C)c1)C1[C@H](c2ccc(C)c(C)c2)C1(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 3/20 0.36
RECQL P46063 1/20 0.36
HTT P42858 2/20 0.36
POLB P06746 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HSP90AA1 P07900 1/20 0.35
G6PD P11413 1/20 0.35
PKM P14618 1/20 0.35
CCR6 P51684 1/20 0.35
MCL1 Q07820 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 2/20 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
SCHEMBL21022006 0.86 MEN1 (0.39) MEN1KMT2AALDH1A1RECQLHTT
SCHEMBL20076812 0.84 KMT2A (0.41) MEN1KMT2AALDH1A1RECQLHTT
SCHEMBL20076571 0.81 HTT (0.39) MEN1KMT2AALDH1A1RECQLHTT
SCHEMBL21022497 0.80 MEN1 (0.35) MEN1KMT2AALDH1A1RECQLHTT
SCHEMBL21021227 0.78 MAPT (0.35) MEN1KMT2AALDH1A1POLBRAB9A
SCHEMBL20076442 0.77 MEN1 (0.38) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL21020711 0.77 MEN1 (0.36) MEN1KMT2AALDH1A1RECQLHTT
SCHEMBL21021817 0.77 MEN1 (0.53) MEN1KMT2AALDH1A1RECQLHTT
SCHEMBL21021818 0.77 MEN1 (0.53) MEN1KMT2AALDH1A1RECQLHTT
SCHEMBL21020795 0.76 SMN1; SMN2 (0.33) MEN1KMT2AALDH1A1RECQLHTT

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