SCHEMBL31253987

SCHEMBL31253987

COc1c(-c2ccccc2)cc(Br)c(O)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 4/20 0.47
▸ PDE4A P27815 3/20 0.47
▸ PDE4C Q08493 3/20 0.47
▸ PDE4D Q08499 3/20 0.47
▸ HPRT1 P00492 1/20 0.43
▸ CRHBP P24387 2/20 0.41
▸ CRHR2 Q13324 2/20 0.41
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ GRIN2C Q14957 1/20 0.39
▸ GRIN3A Q8TCU5 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.39
▸ PKM P14618 2/20 0.39
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 0.39
▸ TUBA1B P68363 1/20 0.39

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
SCHEMBL27754094 0.74 TDP1 (0.46) HPRT1PKMTUBB4ATUBBTUBA3C
SCHEMBL28694563 0.73 PKM (0.55) HPRT1PKMTUBB4ATUBBTUBA3C
SCHEMBL29878561 0.71 CRHBP (0.49) PDE4BPDE4APDE4CPDE4DCRHBP
SCHEMBL7717395 0.71 HPRT1 (0.43) PDE4BPDE4APDE4CPDE4DHPRT1
SCHEMBL10435064 0.71 HPRT1 (0.53) HPRT1CRHBPCRHR2ALDH1A1TDP1
SCHEMBL28353391 0.71 AKR1C3 (0.46) PDE4BPDE4APDE4CPDE4DHPRT1
SCHEMBL28646250 0.71 CRHBP (0.49) PDE4BPDE4APDE4CPDE4DCRHBP
SCHEMBL27686975 0.71 TDP1 (0.46) HPRT1CRHBPCRHR2PKMTUBB4A
SCHEMBL31051454 0.69 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DHPRT1
SCHEMBL7812521 0.69 AKR1C3 (0.40) PDE4BPDE4APDE4CPDE4DHPRT1

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-119306737-A Benzo heterocyclic compound, pharmaceutically acceptable salt or stereoisomer thereof, and preparation method and application thereof 江苏集萃分子工程研究院有限公司 2025-01-14 — — CN disclosed
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