SCHEMBL29276713

SCHEMBL29276713

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ RHEB Q15382 2/20 0.36
▸ PDE3B Q13370 6/20 0.36
▸ PDE3A Q14432 6/20 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 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) STAT3STAT1RHEBPDE3BPDE3A
SCHEMBL29276712 0.97 RHEB (0.39) STAT3STAT1RHEBPDE3BPDE3A
SCHEMBL30486060 0.97 STAT3 (0.38) STAT3STAT1RHEBPDE3BPDE3A
SCHEMBL28351449 0.97 STAT3 (0.38) STAT3STAT1RHEBPDE3BPDE3A
Hydrochloric Acid SCHEMBL16188245 0.97 STAT3 (0.38) STAT3STAT1RHEBPDE3BPDE3A
SCHEMBL28811612 0.97 PDE3B (0.38) STAT3STAT1RHEBPDE3BPDE3A
Hydrochloric Acid SCHEMBL16188263 0.97 STAT3 (0.38) STAT3STAT1RHEBPDE3BPDE3A
SCHEMBL11569705 0.97 STAT3 (0.38) STAT3STAT1RHEBPDE3BPDE3A
SCHEMBL29276711 0.97 STAT3 (0.38) STAT3STAT1RHEBPDE3BPDE3A
SCHEMBL28888332 0.97 STAT3 (0.38) STAT3STAT1RHEBPDE3BPDE3A

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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