SCHEMBL7844745

SCHEMBL7844745

CC(=O)c1ccc(OCc2ccccc2)cc1Nc1cccc(OCCCl)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.59
CTSL P07711 3/20 0.59
SIRT2 Q8IXJ6 5/20 0.57
MAOB P27338 3/20 0.54
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOA P21397 1/20 0.47
LMNA P02545 1/20 0.46
MET P08581 1/20 0.46
PTK6 Q13882 1/20 0.45

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
SCHEMBL7835152 0.84 CTSV (0.81) CTSVCTSLSIRT2MAOBMEN1
SCHEMBL7844741 0.77 CTSV (0.64) CTSVCTSLSIRT2MEN1KMT2A
SCHEMBL27568225 0.76 CTSV (0.58) CTSVCTSLSIRT2MAOBAKR1C3
SCHEMBL10983488 0.75 CTSV (1.00) CTSVCTSLSIRT2MEN1KMT2A
SCHEMBL27322834 0.74 MAOB (0.67) CTSVCTSLSIRT2MAOBMEN1
SCHEMBL6899074 0.74 MAOB (0.65) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL10934405 0.74 SIRT2 (0.76) CTSVCTSLSIRT2MAOBMEN1
SCHEMBL15233688 0.73 RAB9A (0.64) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL31504435 0.73 CTSV (0.56) CTSVCTSLSIRT2PTK6
SCHEMBL21617259 0.73 CTSV (0.56) CTSVCTSLSIRT2PTK6

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