SCHEMBL29125876

SCHEMBL29125876

CCC(Oc1cccc(I)c1)SCc1n[nH]c(=O)o1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 5/20 0.36
▸ MTNR1B P49286 2/20 0.33
▸ SORT1 Q99523 1/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ ENPP3 O14638 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ MDM2 Q00987 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL29125974 0.87 ALDH1A1 (0.46) ALDH1A1ENPP3TP53ALOX15TSHR
SCHEMBL29125920 0.86 ALDH1A1 (0.40) NOTUMMTNR1BSORT1MTNR1AALDH1A1
SCHEMBL29126017 0.82 MTNR1B (0.39) NOTUMMTNR1BSORT1MTNR1A
SCHEMBL29128439 0.81 — —
SCHEMBL29125754 0.80 SORT1 (0.35) NOTUMMTNR1BSORT1MTNR1AALDH1A1
SCHEMBL29126050 0.78 NOTUM (0.43) NOTUMMTNR1BSORT1MTNR1AALDH1A1
SCHEMBL29125930 0.76 SORT1 (0.35) NOTUMMTNR1BSORT1MTNR1AALDH1A1
SCHEMBL29125770 0.76 RRM1 (0.35) NOTUMMTNR1BSORT1MTNR1A
SCHEMBL29125787 0.74 SORT1 (0.35) NOTUMMTNR1BSORT1MTNR1AALDH1A1
SCHEMBL29125870 0.73 ALDH1A1 (0.47) NOTUMMTNR1BMTNR1AALDH1A1ALOX15

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
Send feedback