SCHEMBL29125947

SCHEMBL29125947

O=c1[nH]nc(CSCC(Br)COc2ccc(Br)cc2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.40
▸ LMNA P02545 2/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ ALPL P05186 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ USP2 O75604 1/20 0.30
▸ MAPT P10636 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
SCHEMBL29125897 0.88 GAA (0.33) LMNAKMT2AALPLNPC1RAB9A
SCHEMBL29128521 0.78 MAPT (0.30) MAPT
SCHEMBL29125813 0.74 TSHR (0.46) TSHRLMNAKMT2AMMP13ALDH1A1
SCHEMBL29125806 0.73 NPC1 (0.42) TSHRLMNAKMT2AMMP13ALDH1A1
SCHEMBL689253 0.73 TSHR (0.52) TSHRLMNAKMT2AALDH1A1HSD17B10
SCHEMBL29128361 0.71 MAPT (0.30) MAPT
SCHEMBL29125927 0.70 ALDH1A1 (0.46) KMT2AALDH1A1HSD17B10NPC1RAB9A
SCHEMBL29125955 0.69 LMNA (0.46) TSHRLMNAKMT2AMMP13ALDH1A1
SCHEMBL29125931 0.68 LMNA (0.43) TSHRLMNAKMT2AMMP13ALDH1A1
SCHEMBL30788492 0.68 LMNA (0.43) TSHRLMNAKMT2AMMP13ALDH1A1

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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