SCHEMBL21020549

SCHEMBL21020549

C=C(Nc1ccc(C)cc1)c1cc(C)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
TGM2 P21980 1/20 0.40
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
POLB P06746 2/20 0.39
HSP90AA1 P07900 1/20 0.39
G6PD P11413 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL21020666 0.91 F10 (0.47) LMNAMEN1KMT2ARAB9ANPC1
SCHEMBL21021757 0.85 MEN1 (0.54) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL21021371 0.82 MEN1 (0.43) TDP1LMNAALDH1A1MEN1KMT2A
SCHEMBL21021467 0.81 PLAU (0.49) TDP1LMNAMEN1KMT2ARAB9A
SCHEMBL21021556 0.81 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL21021365 0.81 MEN1 (0.37) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL16602059 0.79 TDP1 (0.40) TDP1LMNAALDH1A1MEN1KMT2A
SCHEMBL21019686 0.79 RAB9A (0.42) LMNAMEN1KMT2ARAB9ANPC1
SCHEMBL21021625 0.78 RAB9A (0.41) TDP1LMNAALDH1A1MEN1KMT2A
SCHEMBL21022158 0.78 RORC (0.47) LMNAALDH1A1MEN1KMT2ARAB9A

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