SCHEMBL25934615

SCHEMBL25934615

CC(C)(C)OC(=O)N1CC=C(N2CCc3cc(Br)ccc3C2)C(F)(F)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.47
▸ ABHD6 Q9BV23 4/20 0.44
▸ NR1H2 P55055 1/20 0.41
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ RORC P51449 3/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ USP30 Q70CQ3 3/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ ASIC3 Q9UHC3 1/20 0.34
▸ HSD17B3 P37058 1/20 0.34
▸ PDK2 Q15119 1/20 0.34

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
SCHEMBL29528794 0.78 ESR2 (0.74) ESR2ABHD6NR1H2DDB1CRBN
SCHEMBL587847 0.78 ESR2 (0.74) ESR2ABHD6NR1H2DDB1CRBN
SCHEMBL25322440 0.77 HPGD (0.38) NR1H2PDK2
SCHEMBL30644260 0.76 ABHD6 (0.45) ESR2ABHD6NR1H2DDB1CRBN
SCHEMBL31510697 0.76 HPGD (0.40) NR1H2PDK2
SCHEMBL1263942 0.75 ESR2 (0.61) ESR2ABHD6NR1H2RORCHDAC1
SCHEMBL29407443 0.74 ESR2 (0.46) ESR2ABHD6NR1H2DDB1CRBN
SCHEMBL22981885 0.74 ESR2 (0.46) ESR2ABHD6NR1H2DDB1CRBN
SCHEMBL1263385 0.73 ESR2 (0.63) ESR2ABHD6NR1H2DDB1CRBN
SCHEMBL30014804 0.73 ESR2 (0.47) ESR2ABHD6NR1H2DDB1CRBN

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
WO-2023109892-A1 COMPOUND FOR INHIBITING OR DEGRADING BRD9, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 海思科医药集团股份有限公司 2023-06-22 — — WO disclosed
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