SCHEMBL29276712

SCHEMBL29276712

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHEB Q15382 2/20 0.39
▸ STAT3 P40763 1/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ 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
▸ PDE3B Q13370 6/20 0.35
▸ PDE3A Q14432 6/20 0.35
▸ PKN1 Q16512 2/20 0.34
▸ PKN2 Q16513 2/20 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) RHEBSTAT3STAT1KDM4EALDH1A1
SCHEMBL28811612 0.97 PDE3B (0.38) RHEBSTAT3STAT1KDM4EALDH1A1
SCHEMBL30486060 0.97 STAT3 (0.38) RHEBSTAT3STAT1KDM4EALDH1A1
SCHEMBL29194175 0.97 STAT3 (0.38) RHEBSTAT3STAT1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL16188245 0.97 STAT3 (0.38) RHEBSTAT3STAT1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL16188263 0.97 STAT3 (0.38) RHEBSTAT3STAT1KDM4EALDH1A1
SCHEMBL28351484 0.97 STAT3 (0.38) RHEBSTAT3STAT1KDM4EALDH1A1
SCHEMBL11569705 0.97 STAT3 (0.38) RHEBSTAT3STAT1KDM4EALDH1A1
SCHEMBL28888332 0.97 STAT3 (0.38) RHEBSTAT3STAT1KDM4EALDH1A1
SCHEMBL28351449 0.97 STAT3 (0.38) RHEBSTAT3STAT1KDM4EALDH1A1

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-117191754-A Off-on type up-conversion fluorescence sensor and method for quantitatively detecting hexavalent chromium by using same 东南大学 2023-12-08 — — CN claimed
CN-117191754-A Off-on type up-conversion fluorescence sensor and method for quantitatively detecting hexavalent chromium by using same 东南大学 2023-12-08 — — CN disclosed
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