SCHEMBL31430376

SCHEMBL31430376

O=C1Nc2c(Cl)cc(Br)cc2C12CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 5/20 0.37
▸ PGR P06401 4/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NMT1 P30419 1/20 0.32
▸ PDE5A O76074 2/20 0.31
▸ PDE1A P54750 2/20 0.31
▸ PDE1B Q01064 2/20 0.31
▸ PDE4D Q08499 2/20 0.31
▸ PDE1C Q14123 2/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE7B Q9NP56 1/20 0.31
▸ GHSR Q92847 1/20 0.31
▸ IP6K1 Q92551 3/20 0.31
▸ IP6K3 Q96PC2 1/20 0.31
▸ IP6K2 Q9UHH9 1/20 0.31

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
SCHEMBL4813479 0.79 PGR (0.41) PGRALDH1A1LMNATP53HTT
SCHEMBL31116993 0.77 PDK2 (0.38) PDE7APGRALDH1A1LMNATP53
SCHEMBL11642237 0.76 PDE7A (0.56) PDE7APGRPDE5APDE1APDE1B
SCHEMBL18320062 0.73 PDE4A (0.35) PGRALDH1A1LMNATP53HTT
SCHEMBL20267946 0.73 PGR (0.35) PDE7APGRALDH1A1LMNATP53
SCHEMBL25316912 0.73 PDE7A (0.47) PDE7APGRALDH1A1GHSRIP6K1
SCHEMBL20282798 0.73 PDE7A (0.40) PDE7APGRALDH1A1PDE5APDE1A
SCHEMBL29860150 0.71 PDE7A (0.51) PDE7APGRPDE7B
SCHEMBL26666417 0.71 PDE7A (0.51) PDE7APGRPDE7B
SCHEMBL31430430 0.70 PDE7A (0.34) PDE7APGRAKR1B1

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-119462695-A Pyridine derivative and application thereof 康百达(四川)生物医药科技有限公司 2025-02-18 — — CN disclosed
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