SCHEMBL7844741

SCHEMBL7844741

CC(=O)c1ccccc1Nc1ccc(OCc2ccccc2)c(OCCCl)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSV O60911 6/20 0.64
CTSL P07711 6/20 0.64
SIRT2 Q8IXJ6 2/20 0.48
C5AR1 P21730 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM3 P20309 1/20 0.46
CLCN2 P51788 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BRD4 O60885 1/20 0.45
GAA P10253 1/20 0.45
SGMS2 Q8NHU3 1/20 0.44

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
SCHEMBL10934405 0.78 SIRT2 (0.76) CTSVCTSLSIRT2MEN1KMT2A
SCHEMBL7835152 0.77 CTSV (0.81) CTSVCTSLSIRT2MEN1KMT2A
SCHEMBL7844745 0.77 CTSV (0.59) CTSVCTSLSIRT2MEN1KMT2A
SCHEMBL30968206 0.76 MEN1 (0.65) CTSVCTSLMEN1KMT2AKDM4E
SCHEMBL25311441 0.74 CTSV (0.65) CTSVCTSLSIRT2KDM4ECHRM4
SCHEMBL9653543 0.71 C5AR1 (0.59) CTSVCTSLC5AR1MEN1KMT2A
SCHEMBL10937794 0.70 SIRT2 (0.61) CTSVCTSLSIRT2MEN1KMT2A
SCHEMBL4481551 0.70 MEN1 (0.67) MEN1KMT2AKDM4EMAPTCYP2C9
SCHEMBL11548021 0.70 NPC1 (0.68) C5AR1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL10934422 0.70 SIRT2 (0.60) CTSVCTSLSIRT2MEN1KMT2A

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