SCHEMBL31312599

SCHEMBL31312599

CCCCCCCCn1ccc2cc(N)ccc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.53
▸ PLAU P00749 2/20 0.50
▸ PLG P00747 1/20 0.50
▸ CDK4 P11802 3/20 0.49
▸ CCND1 P24385 3/20 0.49
▸ EGFR P00533 1/20 0.47
▸ TLR8 Q9NR97 5/20 0.44
▸ SPHK2 Q9NRA0 3/20 0.41
▸ NTSR1 P30989 1/20 0.41
▸ BRPF1 P55201 1/20 0.41
▸ LNPEP Q9UIQ6 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL5089820 0.94 PRKCI (0.56) PRKCIPLAUPLGCDK4CCND1
SCHEMBL3650822 0.87 PRKCI (0.59) PRKCIPLAUPLGCDK4CCND1
SCHEMBL18307589 0.81 CDK4 (0.52) PLAUPLGCDK4CCND1TLR8
SCHEMBL3919143 0.81 MEN1 (0.54) PLAUPLGCDK4CCND1SPHK2
SCHEMBL22930065 0.81 HTR2A (0.54) PLAUPLGCDK4CCND1EGFR
SCHEMBL15550237 0.81 HTR2A (0.54) PLAUPLGCDK4CCND1EGFR
SCHEMBL28550149 0.81 HTR2A (0.54) PLAUPLGCDK4CCND1EGFR
SCHEMBL9231907 0.81 HTR2A (0.54) PLAUPLGCDK4CCND1TLR8
SCHEMBL27812843 0.81 CDK4 (0.44) PRKCIPLAUPLGCDK4CCND1
SCHEMBL8266288 0.81 PLAU (0.50) PRKCIPLAUPLGCDK4CCND1

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-119241507-A Phenyl pyridine quaternary ammonium salt derivative and preparation method and application thereof 山东大学 2025-01-03 — — CN disclosed
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