SCHEMBL28425625

SCHEMBL28425625

COC(=O)c1cnc2c(c1)c(OC)nn2Cc1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 3/20 0.48
▸ GAA P10253 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ FAAH O00519 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ PDE5A O76074 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL28431943 0.90 PDE1B (0.49) PDE1BRAB9ACNR1CNR2PDE5A
SCHEMBL28428236 0.89 PDE1B (0.47) PDE1BRAB9ACNR1CNR2PDE5A
SCHEMBL1592875 0.83 NR3C1 (0.45) RAB9ACNR1CNR2MEN1KMT2A
SCHEMBL24566406 0.82 CNR1 (0.50) PDE1BCNR1CNR2PDE5AALDH1A1
SCHEMBL28431878 0.82 CNR1 (0.47) PDE1BCNR1CNR2PDE5AALDH1A1
SCHEMBL1592906 0.80 PDE1B (0.55) PDE1BCNR1CNR2PDE5AALDH1A1
SCHEMBL1593023 0.80 CNR1 (0.47) PDE1BCNR1CNR2PDE5AMEN1
SCHEMBL28432732 0.79 PDE5A (0.38) PDE1BRAB9APDE5AMEN1KMT2A
SCHEMBL1593855 0.79 PTGDR2 (0.44) PDE1BCNR1CNR2MEN1KMT2A
SCHEMBL1592988 0.76 MEN1 (0.47) PDE1BCNR1CNR2MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111393433-B Heterocyclic benzene sulfonamide compound and application thereof 暨南大学 2021-07-30 — — CN disclosed
CN-111393433-A Heterocyclic benzene sulfonamide compound and application thereof 暨南大学 2020-07-10 — — CN disclosed
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