SCHEMBL21020795

SCHEMBL21020795

C=C(C)Nc1ccc(NC(=C)c2cc(NC(=C)C3C(c4ccc(C)c(Cl)c4)C3(Cl)Cl)ccc2C)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.33
EPHB4 P54760 1/20 0.32
TEK Q02763 1/20 0.32
LMNA P02545 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
RECQL P46063 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 3/20 0.31
MAPK1 P28482 2/20 0.31
TSHR P16473 2/20 0.31
HPGD P15428 2/20 0.31
CA2 P00918 1/20 0.31
GAA P10253 1/20 0.31
EPHX2 P34913 2/20 0.31
PPIA P62937 1/20 0.31

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
SCHEMBL21020711 0.79 MEN1 (0.36) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL21021560 0.78 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL21021307 0.77 MEN1 (0.42) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL21021915 0.77 MEN1 (0.42) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL21020814 0.76 MEN1 (0.36) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL21021322 0.75 MEN1 (0.38) SMN1; SMN2NPC1RAB9AEPHB4TEK
SCHEMBL21021207 0.74 MEN1 (0.37) SMN1; SMN2NPC1RAB9AEPHB4TEK
SCHEMBL21020817 0.72 MEN1 (0.33) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL20076459 0.72 KMT2A (0.37) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL21022006 0.70 MEN1 (0.39) SMN1; SMN2NPC1LMNAMEN1KMT2A

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