SCHEMBL31248569

SCHEMBL31248569

c1ccc2c(c1)sc1nncn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TNKS2 Q9H2K2 15/20 1.00
▸ PARP2 Q9UGN5 14/20 1.00
▸ PARP15 Q460N3 14/20 0.60
▸ PARP10 Q53GL7 12/20 0.60
▸ PARP14 Q460N5 2/20 0.60
▸ TNKS O95271 1/20 0.60
▸ PARP1 P09874 1/20 0.60
▸ PARP11 Q9NR21 1/20 0.60
▸ PARP4 Q9UKK3 1/20 0.60
▸ PARP3 Q9Y6F1 1/20 0.60
▸ BRPF1 P55201 1/20 0.56
▸ CHEK1 O14757 1/20 0.49
▸ PDGFRA P16234 1/20 0.49
▸ CDK5 Q00535 1/20 0.49
▸ DYRK1A Q13627 1/20 0.49
▸ LRRK2 Q5S007 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49
▸ DYRK1B Q9Y463 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49

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
SCHEMBL2489012 1.00 TNKS2 (1.00) TNKS2PARP2PARP15PARP10PARP14
Sulfuric Acid SCHEMBL11745970 0.90 TNKS2 (0.81) TNKS2PARP2PARP15PARP10PARP14
SCHEMBL11743096 0.75 BRPF1 (0.67) TNKS2PARP2PARP15PARP10PARP14
SCHEMBL25324482 0.75 TNKS2 (1.00) TNKS2PARP2PARP15PARP10PARP14
SCHEMBL25324487 0.75 PARP2 (1.00) TNKS2PARP2PARP15PARP10PARP14
SCHEMBL25322717 0.73 TNKS2 (0.57) TNKS2PARP2PARP15PARP10PARP14
SCHEMBL25324791 0.72 TNKS2 (0.78) TNKS2PARP2PARP15PARP10PARP14
SCHEMBL25324223 0.72 TNKS2 (1.00) TNKS2PARP2PARP15PARP10PARP14
SCHEMBL25324226 0.72 TNKS2 (0.78) TNKS2PARP2PARP15PARP10PARP14
SCHEMBL11750178 0.72 TNKS2 (1.00) TNKS2PARP2PARP15PARP10PARP14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4471790-B1 SYSTEM AND METHOD FOR DETERMINING MICROBIOME FROM HOST METABOLOME USING A MACHINE LEARNING MODEL MICROBIOTX HEALTH PRIVATE LTD (IN) 2026-04-01 — — EP disclosed
US-20240404637-A1 SYSTEM AND METHOD FOR DETERMINING MICROBIOME FROM HOST METABOLOME USING A MACHINE LEARNING MODEL MICROBIOTX HEALTH PRIVATE LIMITED (IN) 2024-12-05 — — US disclosed
EP-4471790-A1 SYSTEM AND METHOD FOR DETERMINING MICROBIOME FROM HOST METABOLOME USING A MACHINE LEARNING MODEL MicrobioTx Health Private Limited (IN) 2024-12-04 — — EP disclosed
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