SCHEMBL20076501

SCHEMBL20076501

C=C(C)c1cc(NC(=C)C2C(c3ccc(C)cc3)C2(C)C)ccc1C

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
SLC9A1 P19634 1/20 0.32
HTT P42858 2/20 0.32
TGM2 P21980 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
MEN1 O00255 2/20 0.30
ALDH1A1 P00352 2/20 0.30
KMT2A Q03164 2/20 0.30
RECQL P46063 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX12 P18054 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
SCHEMBL21022029 0.90 CSF1R (0.32)
SCHEMBL21021895 0.77
SCHEMBL21022136 0.76 ALDH1A1 (0.31) SLC9A1MEN1ALDH1A1KMT2ARECQL
SCHEMBL20076828 0.76 SLC9A1 (0.37) SLC9A1
SCHEMBL21020721 0.76 SLC9A1 (0.36) MAPTTP53SLC9A1HTTMEN1
SCHEMBL21022193 0.75 ALDH1A1 (0.34) ALDH1A1GAA
SCHEMBL21018820 0.74 ALDH1A1 (0.36) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL21020817 0.73 MEN1 (0.33) MAPTHTTMEN1ALDH1A1KMT2A
SCHEMBL20076601 0.72 LMNA (0.34) MAPTTP53SLC9A1HTTMEN1
SCHEMBL20076436 0.72 SLC9A1 (0.36) MAPTSLC9A1MEN1ALDH1A1KMT2A

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