SCHEMBL7835152

SCHEMBL7835152

CC(=O)c1ccccc1Nc1cccc(OCc2ccccc2)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.81
CTSL P07711 3/20 0.81
SIRT2 Q8IXJ6 11/20 0.78
MAOB P27338 2/20 0.58
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55
THPO P40225 1/20 0.55

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
SCHEMBL10983488 0.90 CTSV (1.00) CTSVCTSLSIRT2MEN1KMT2A
SCHEMBL7834264 0.86 CTSV (0.60) CTSVCTSLSIRT2KMT2ALMNA
SCHEMBL10934405 0.86 SIRT2 (0.76) CTSVCTSLSIRT2MAOBMEN1
SCHEMBL7844745 0.84 CTSV (0.59) CTSVCTSLSIRT2MAOBMEN1
SCHEMBL27438967 0.82 SIRT2 (0.78) CTSVCTSLSIRT2MEN1KMT2A
SCHEMBL7844457 0.81 AKR1C3 (0.66) CTSVCTSLSIRT2MEN1KMT2A
SCHEMBL27322834 0.81 MAOB (0.67) CTSVCTSLSIRT2MAOBMEN1
SCHEMBL10986767 0.81 CTSV (0.70) CTSVCTSLSIRT2MEN1KMT2A
SCHEMBL27438028 0.80 CTSV (0.66) CTSVCTSLSIRT2MAOBMEN1
SCHEMBL10599853 0.79 MEN1 (0.79) CTSVCTSLSIRT2MAOBMEN1

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 6 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
CN-1046731-C Pyrrolo [2,3-d ] pyrimidines and their use NOVARTIS AG (CH) 1999-11-24 CN disclosed
US-5869485-A Pyrrolo 2,3-d!pyrimidines and their use NOVARTIS FINANCE CORP. (US) 1999-02-09 US disclosed
CN-1164234-A Pyrrolo [2, 3-d ] pyrimidines and their use NOVARTIS AG (CH) 1997-11-05 CN 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