SCHEMBL29125812

SCHEMBL29125812

O=c1[nH]nc(CSCOc2cccc(I)c2I)o1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ SYK P43405 2/20 0.32
▸ MTNR1B P49286 2/20 0.32
▸ SORT1 Q99523 1/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ NOTUM Q6P988 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
SCHEMBL29125773 0.85 ALDH1A1 (0.50) ALDH1A1KDM4ELMNA
SCHEMBL29125949 0.81 ALDH1A1 (0.33) ALDH1A1SYKMTNR1BSORT1MTNR1A
SCHEMBL29125739 0.80 NOTUM (0.43) ALDH1A1NOTUM
SCHEMBL29125977 0.79 MAPT (0.38) ALDH1A1MTNR1BSORT1MTNR1ANOTUM
SCHEMBL29125744 0.77 ALDH1A1 (0.44) ALDH1A1SYKMTNR1BSORT1MTNR1A
SCHEMBL29125724 0.76 ALDH1A1 (0.38) ALDH1A1SYKSORT1KDM4ELMNA
SCHEMBL29125967 0.76 NOTUM (0.37) ALDH1A1SYKMTNR1BSORT1MTNR1A
SCHEMBL29125944 0.71 NOTUM (0.41) ALDH1A1SYKMTNR1BSORT1MTNR1A
SCHEMBL29128202 0.69 — —
SCHEMBL30788519 0.69 NOTUM (0.44) ALDH1A1MTNR1BSORT1MTNR1AKDM4E

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-117247361-A Phenol-oxazolone/thioketone compound and synthetic method and application thereof 吉首大学 2023-12-19 — — CN disclosed
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