SCHEMBL23486258

SCHEMBL23486258

O=C(O)CC[n+]1ccc(-c2nc3ccccc3s2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
MAPT P10636 4/20 0.52
ALDH1A1 P00352 4/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 1/20 0.52
GLA P06280 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
MMP9 P14780 2/20 0.51
MMP8 P22894 2/20 0.51
MMP2 P08253 1/20 0.51
MMP13 P45452 1/20 0.51
PKM P14618 3/20 0.51
POLB P06746 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
HTT P42858 2/20 0.50
MGLL Q99685 2/20 0.50
ALOX15 P16050 1/20 0.50
PTPN7 P35236 1/20 0.49

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
SCHEMBL23486248 0.82 TP53 (0.49) KDM4ERAB9ANPC1MAPTALDH1A1
SCHEMBL12727651 0.81 RAB9A (0.66) KDM4ERAB9ANPC1MAPTALDH1A1
SCHEMBL23486270 0.81 KDM4E (0.37) KDM4ERAB9ANPC1MAPTALDH1A1
Bromide SCHEMBL29935440 0.80 RAB9A (0.55) KDM4ERAB9ANPC1MAPTALDH1A1
SCHEMBL23458502 0.77 KDM4E (0.51) KDM4ERAB9ANPC1MAPTALDH1A1
SCHEMBL29935671 0.77 RAB9A (0.51) KDM4ERAB9ANPC1MAPTALDH1A1
SCHEMBL23458484 0.76 KDM4E (0.50) KDM4ERAB9ANPC1MAPTALDH1A1
Bromide SCHEMBL29935725 0.76 KDM4E (0.56) KDM4ERAB9ANPC1MAPTALDH1A1
SCHEMBL24566464 0.76 KDM4E (0.55) KDM4ERAB9ANPC1MAPTALDH1A1
2-Phenylbenzo[D]Thiazole SCHEMBL94005 0.75 RAB9A (0.75) KDM4ERAB9ANPC1MAPTALDH1A1

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-2021110890-A1 PYRIDINIUM DERIVATIVES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-06-10 WO disclosed