SCHEMBL21731375

SCHEMBL21731375

C=CCn1c(OC)n[n+]2c(Cc3ccc(Cl)nc3)cccc12

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ PKM P14618 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ GAA P10253 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
SCHEMBL21723151 0.85 GAA (0.31) MAPTKDM4EL3MBTL1GAA
SCHEMBL21731432 0.78 KMT2A (0.36) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL21710051 0.75 LMNA (0.30) LMNA
SCHEMBL21731417 0.65 MEN1 (0.36) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL21723143 0.65 GAA (0.34) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL21682613 0.64 LMNA (0.31) LMNA
SCHEMBL21731409 0.63 GAA (0.34) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL21709959 0.62 KMT2A (0.38) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL17674580 0.60 GAA (0.40) MAPTKMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL21731426 0.60 GAA (0.40) MAPTALDH1A1LMNAKDM4ESMN1; 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
WO-2020035565-A1 PESTICIDALLY-ACTIVE MESOIONIC BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-02-20 — — WO disclosed
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