SCHEMBL21021371

SCHEMBL21021371

C=C(Nc1ccc(C)cc1)c1cc(C)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GAA P10253 3/20 0.43
G6PD P11413 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TGM2 P21980 1/20 0.42
POLB P06746 2/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
KIF11 P52732 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL21021270 0.90 SMN1; SMN2 (0.44) KMT2AGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL21022205 0.85 TDP1 (0.48) MEN1KMT2AGAAG6PDL3MBTL1
SCHEMBL21021467 0.84 PLAU (0.49) MEN1KMT2AGAAG6PDL3MBTL1
SCHEMBL16602059 0.82 TDP1 (0.40) MEN1KMT2AGAAG6PDL3MBTL1
SCHEMBL21020549 0.82 TDP1 (0.44) MEN1KMT2AGAAG6PDALDH1A1
SCHEMBL26065589 0.79 SMN1; SMN2 (0.42) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL20133593 0.79 MEN1 (0.42) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL21021070 0.78 HDAC1 (0.59) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL21020826 0.77 MEN1 (0.43) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL21022112 0.77 MAPT (0.48) MEN1KMT2AGAAALDH1A1SMN1; SMN2

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