SCHEMBL7100440

SCHEMBL7100440

O=C(O)c1nc(C#CCN2CCOCC2)c2cccnc2c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
METAP2 P50579 1/20 0.45
PAX8 Q06710 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
POLB P06746 1/20 0.44
MCL1 Q07820 1/20 0.44
KDM4E B2RXH2 6/20 0.42
HTT P42858 4/20 0.42
TDP1 Q9NUW8 4/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
MPI P34949 1/20 0.42
SNCA P37840 1/20 0.42
APAF1 O14727 1/20 0.41
MITF O75030 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL4070118 0.90 KDM4E (0.43) L3MBTL1RAB9ANPC1METAP2SMN1; SMN2
SCHEMBL4063845 0.82 L3MBTL1 (0.44) L3MBTL1RAB9ANPC1METAP2PAX8
SCHEMBL4058774 0.80 KDM4E (0.42) L3MBTL1RAB9ANPC1PAX8SMN1; SMN2
SCHEMBL4058765 0.72 CALCA (0.48) L3MBTL1RAB9ANPC1METAP2SMN1; SMN2
SCHEMBL7258267 0.69 KDM4E (0.53) L3MBTL1RAB9ANPC1PAX8SMN1; SMN2
SCHEMBL30406784 0.67 MAPT (0.51) L3MBTL1RAB9ANPC1METAP2PAX8
SCHEMBL26908045 0.67 MAPT (0.51) L3MBTL1RAB9ANPC1METAP2PAX8
SCHEMBL6646416 0.66 KDM4E (0.49) L3MBTL1RAB9AMETAP2PAX8SMN1; SMN2
SCHEMBL4071983 0.66 KDM4E (0.56) L3MBTL1RAB9APAX8SMN1; SMN2KDM4E
SCHEMBL2479793 0.65 MAPT (0.53) L3MBTL1RAB9ANPC1METAP2PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326865-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP disclosed
WO-2002030930-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 WO disclosed