SCHEMBL28901639

SCHEMBL28901639

O=C(O)N1CCc2c(CBr)cccc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABHD6 Q9BV23 6/20 0.41
▸ S1PR5 Q9H228 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ TAAR1 Q96RJ0 2/20 0.39
▸ ACE P12821 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NLRP3 Q96P20 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL18584701 0.87 ABHD6 (0.43) ABHD6S1PR5NOTUMTAAR1MEN1
SCHEMBL16268894 0.85 S1PR5 (0.40) ABHD6S1PR5NOTUMTAAR1MEN1
SCHEMBL28245902 0.83 S1PR5 (0.51) ABHD6S1PR5NOTUMTAAR1MEN1
SCHEMBL22319819 0.82 S1PR5 (0.47) ABHD6S1PR5NOTUMTAAR1MEN1
SCHEMBL29421814 0.80 ESR2 (0.51) ABHD6MAPT
SCHEMBL22530017 0.80 ESR2 (0.51) ABHD6MAPT
SCHEMBL1550147 0.80 ABHD6 (0.60) ABHD6NOTUMTAAR1MEN1KMT2A
SCHEMBL28208680 0.80 NOTUM (0.35) ABHD6NOTUMTAAR1ACEMEN1
SCHEMBL22319890 0.80 S1PR5 (0.41) ABHD6S1PR5NOTUMTAAR1MEN1
SCHEMBL5777006 0.80 SMN1; SMN2 (0.44) ABHD6NOTUMTAAR1MEN1KMT2A

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-115279370-A Compounds for targeted degradation of BRD9 C4医药公司 2022-11-01 — — CN disclosed
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