SCHEMBL20144316

SCHEMBL20144316

CC[S+]([O-])c1cccnc1-c1nc2cc(SC(F)(F)F)ccc2o1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.33
▸ SMN1; SMN2 Q16637 5/20 0.33
▸ ALDH1A1 P00352 5/20 0.32
▸ HPGD P15428 5/20 0.32
▸ KDM4E B2RXH2 5/20 0.32
▸ GAA P10253 2/20 0.32
▸ UTRN P46939 5/20 0.32
▸ RAB9A P51151 4/20 0.32
▸ TP53 P04637 3/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ PKM P14618 1/20 0.32
▸ CEPT1 Q9Y6K0 1/20 0.31
▸ HDAC6 Q9UBN7 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 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
SCHEMBL20144311 0.86 SGMS2 (0.30) —
SCHEMBL23137402 0.84 RAB9A (0.34) HSD17B10SMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL15858538 0.84 UTRN (0.36) HSD17B10SMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL29431619 0.84 UTRN (0.36) HSD17B10SMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL18819834 0.83 UTRN (0.36) HSD17B10SMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL21759162 0.83 HSD17B10 (0.36) HSD17B10SMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL15933508 0.81 ALDH1A1 (0.36) HSD17B10SMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL29431601 0.81 ALDH1A1 (0.36) HSD17B10SMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL20489709 0.80 — —
SCHEMBL21756319 0.79 ALDH1A1 (0.48) HSD17B10SMN1; SMN2ALDH1A1HPGDKDM4E

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-2938601-B1 FUSED OXAZOLE COMPOUNDS AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL CO (JP) 2018-05-16 — — EP disclosed
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