SCHEMBL21022006

SCHEMBL21022006

C=C(Nc1ccc(Cl)c(C)c1)C1C(c2cc(Cl)cc(Cl)c2)C1(Cl)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
ALDH1A1 P00352 2/20 0.39
RECQL P46063 1/20 0.39
HTT P42858 4/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.35
P2RY1 P47900 1/20 0.34
SLC9A1 P19634 1/20 0.33
BLM P54132 1/20 0.32
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL21022497 0.90 MEN1 (0.35) MEN1KMT2AALDH1A1RECQLHTT
SCHEMBL21020814 0.86 MEN1 (0.36) MEN1KMT2AALDH1A1RECQLHTT
SCHEMBL21021994 0.85 MEN1 (0.56) MEN1KMT2AALDH1A1RECQLHTT
SCHEMBL21021126 0.85 MEN1 (0.56) MEN1KMT2AALDH1A1RECQLHTT
SCHEMBL21022180 0.83 NPC1 (0.33) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL20076436 0.82 SLC9A1 (0.36) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL21021182 0.82 HTT (0.39) MEN1KMT2AALDH1A1RECQLHTT
SCHEMBL21021736 0.82 KMT2A (0.38) MEN1KMT2AALDH1A1RECQLHTT
SCHEMBL21021535 0.81 MEN1 (0.37) MEN1KMT2AALDH1A1RECQLHTT
SCHEMBL20076431 0.80 MEN1 (0.37) 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