SCHEMBL29128402

SCHEMBL29128402

O=c1[nH]cc(CSCCOc2cccc(F)c2F)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ GRM2 Q14416 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CXCR2 P25025 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ SLC6A2 P23975 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ SLC6A3 Q01959 2/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ HTT P42858 2/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL29128167 0.86 ALDH1A1 (0.36) RAB9AKDM4ESMN1; SMN2PKMGRM2
SCHEMBL29128420 0.84 MEN1 (0.40) RAB9AKDM4ESMN1; SMN2PKMMAPK1
SCHEMBL29128376 0.82 KMT2A (0.31) KMT2AALDH1A1HTTLMNA
SCHEMBL29128388 0.78 NR3C2 (0.34) RAB9AGRM2KMT2ASLC6A4ALDH1A1
SCHEMBL29128173 0.78 HTT (0.40) KDM4EMAPK1TDP1KMT2AHTR1A
SCHEMBL29128302 0.78 APP (0.35) RAB9ASMN1; SMN2TDP1KMT2AALDH1A1
SCHEMBL29128368 0.77 ALDH1A1 (0.49) RAB9AKDM4ESMN1; SMN2PKMMAPK1
SCHEMBL29128409 0.75 CXCR2 (0.34) GRM2CXCR2SLC6A2SLC6A4SLC6A3
SCHEMBL29128384 0.75 HTR1B (0.36) RAB9AKDM4ESMN1; SMN2MAPK1TDP1
SCHEMBL29128337 0.75 RAB9A (0.46) RAB9AKDM4EKMT2AALDH1A1POLB

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
CN-117263862-A Phenol-1, 3-oxazole/dihydroimidazole-2-ketone/thioketone compound and synthesis and application thereof 吉首大学 2023-12-22 — — CN disclosed
Send feedback