SCHEMBL29125749

SCHEMBL29125749

CC(Oc1ccc(Br)cc1Br)SCc1n[nH]c(=O)o1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SORT1 Q99523 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ NPC1 O15118 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ MTNR1B P49286 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MTNR1A P48039 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ P2RX3 P56373 2/20 0.32
▸ SYK P43405 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
SCHEMBL29125695 0.87 ALDH1A1 (0.40) LMNASMN1; SMN2ATMHPGDMAPK1
SCHEMBL29125681 0.81 LMNA (0.45) SORT1LMNASMN1; SMN2HPGDNOTUM
SCHEMBL29125700 0.80 MTNR1B (0.40) SORT1NOTUMMTNR1BALDH1A1MTNR1A
SCHEMBL29128387 0.80 LMNA (0.37) LMNASMN1; SMN2ATMNPC1HPGD
SCHEMBL29126046 0.77 NOTUM (0.43) SORT1NOTUMMTNR1BALDH1A1MTNR1A
SCHEMBL29125738 0.75 ALDH1A1 (0.49) LMNASMN1; SMN2NPC1HPGDRAB9A
SCHEMBL29128240 0.74 LMNA (0.36) LMNASMN1; SMN2ATMNPC1HPGD
SCHEMBL29125890 0.74 NOTUM (0.46) SORT1LMNANPC1RAB9ANOTUM
SCHEMBL29125914 0.74 SORT1 (0.40) SORT1NOTUMMTNR1BALDH1A1MTNR1A
SCHEMBL29125875 0.74 NOTUM (0.42) SORT1ATMHPGDNOTUMMTNR1B

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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