SCHEMBL29128374

SCHEMBL29128374

CC(Oc1cc(Cl)ccc1Cl)SCc1c[nH]c(=O)o1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ POLB P06746 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ NOS2 P35228 3/20 0.34
▸ LMNA P02545 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MCOLN3 Q8TDD5 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CRHBP P24387 1/20 0.30
▸ CRHR2 Q13324 1/20 0.30
▸ EPHX1 P07099 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
SCHEMBL29128387 0.78 LMNA (0.37) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL29128367 0.75 KDM4E (0.44) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL29128381 0.75 — —
SCHEMBL29128375 0.75 MEN1 (0.34) MEN1KMT2AKDM4EALDH1A1
SCHEMBL29128409 0.74 CXCR2 (0.34) —
SCHEMBL29128177 0.74 ALDH1A1 (0.30) GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL29128200 0.74 — —
SCHEMBL29128194 0.74 GABRA1 (0.35) —
SCHEMBL29128342 0.73 HSD17B10 (0.36) KMT2AGAALMNAKDM4EALDH1A1
SCHEMBL29125681 0.71 LMNA (0.45) MEN1KMT2APOLBGAALMNA

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
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