SCHEMBL28811612

SCHEMBL28811612

C1=Cc2cc3cc(-c4ccncc4)c(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.[La]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 7/20 0.38
▸ PDE3A Q14432 7/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ RHEB Q15382 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PKN1 Q16512 1/20 0.34
▸ PKN2 Q16513 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ HASPIN Q8TF76 1/20 0.33

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
SCHEMBL5470465 0.98 STAT3 (0.38) PDE3BPDE3ASTAT3STAT1RHEB
SCHEMBL29194175 0.97 STAT3 (0.38) PDE3BPDE3ASTAT3STAT1RHEB
SCHEMBL29276712 0.97 RHEB (0.39) PDE3BPDE3ASTAT3STAT1RHEB
SCHEMBL29276711 0.97 STAT3 (0.38) PDE3BPDE3ASTAT3STAT1RHEB
SCHEMBL11569705 0.97 STAT3 (0.38) PDE3BPDE3ASTAT3STAT1RHEB
SCHEMBL28888332 0.97 STAT3 (0.38) PDE3BPDE3ASTAT3STAT1RHEB
Hydrochloric Acid SCHEMBL16188245 0.97 STAT3 (0.38) PDE3BPDE3ASTAT3STAT1RHEB
Hydrochloric Acid SCHEMBL16188263 0.97 STAT3 (0.38) PDE3BPDE3ASTAT3STAT1RHEB
SCHEMBL28351449 0.97 STAT3 (0.38) PDE3BPDE3ASTAT3STAT1RHEB
SCHEMBL29276713 0.97 STAT3 (0.38) PDE3BPDE3ASTAT3STAT1RHEB

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-114874225-B Sandwich type lanthanide metalloporphyrin and application thereof 南京理工大学 2024-06-04 — — CN disclosed
CN-114874225-A Sandwich type lanthanide metalloporphyrin and application thereof 南京理工大学 2022-08-09 — — CN disclosed
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