SCHEMBL7834264

SCHEMBL7834264

CCOc1cccc(Nc2ccccc2C(C)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.60
CTSL P07711 1/20 0.60
SIRT2 Q8IXJ6 15/20 0.59
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
SIRT1 Q96EB6 1/20 0.53
TAS2R14 Q9NYV8 1/20 0.52
PTK6 Q13882 1/20 0.51

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
SCHEMBL4483532 0.89 CTSV (0.74) CTSVCTSLSIRT2LMNAMAPT
SCHEMBL7835152 0.86 CTSV (0.81) CTSVCTSLSIRT2LMNAMAPT
SCHEMBL7844457 0.85 AKR1C3 (0.66) CTSVCTSLSIRT2LMNAMAPT
SCHEMBL7844996 0.79 CDC25B (0.70) LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL27339343 0.78 KMT2A (0.61) LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL11518974 0.77 SYK (0.57) LMNAMAPTKMT2ASMN1; SMN2PTK6
SCHEMBL7986906 0.76 MAPT (0.54) LMNAMAPTKMT2ASMN1; SMN2PTK6
SCHEMBL11780348 0.76 POLB (0.67) LMNAKMT2ASMN1; SMN2
SCHEMBL30567367 0.76 MAPT (0.68) SIRT2MAPTKMT2ASIRT1
SCHEMBL848485 0.76 MAPT (0.68) SIRT2MAPTKMT2ASIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783505-B1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 2001-03-07 EP disclosed
US-5869485-A Pyrrolo 2,3-d!pyrimidines and their use NOVARTIS FINANCE CORP. (US) 1999-02-09 US disclosed
EP-0783505-A1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE Novartis AG (CH) 1997-07-16 EP disclosed
WO-1996010028-A1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 1996-04-04 WO disclosed