SCHEMBL7845708

SCHEMBL7845708

CCN(CCOC(C)=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 7/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 2/20 0.44
TP53 P04637 2/20 0.44
POLB P06746 1/20 0.42
KCNH2 Q12809 2/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C9 P11712 1/20 0.41
RECQL P46063 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
SCHEMBL7476612 0.93 ATM (0.50) ATML3MBTL1ALDH1A1MAPTMEN1
SCHEMBL13941018 0.93 MMP14 (0.50) ATML3MBTL1ALDH1A1MAPTMEN1
SCHEMBL7096253 0.87 ATM (0.49) ATML3MBTL1ALDH1A1MAPTMEN1
SCHEMBL15628261 0.85 MMP14 (0.53) ATML3MBTL1ALDH1A1MAPTMEN1
SCHEMBL19456489 0.85 MAPT (0.46) ATML3MBTL1ALDH1A1MAPTMEN1
SCHEMBL9510982 0.83 APP (0.50) ATML3MBTL1ALDH1A1MAPTMEN1
SCHEMBL9510976 0.83 APP (0.50) ATML3MBTL1ALDH1A1MAPTMEN1
SCHEMBL19456564 0.83 MMP14 (0.42) ATML3MBTL1ALDH1A1MAPTMEN1
SCHEMBL15181356 0.82 MMP14 (0.47) ATML3MBTL1ALDH1A1MAPTMEN1
SCHEMBL29740662 0.82 MAPT (0.57) ATML3MBTL1ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140850-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-10-10 EP disclosed
US-6248739-B1 DNA POLYMERASE INHIBITORS EFFECTIVE AGAINST HERPESVIRUSES PHARMACIA & UPJOHN COMPANY 2001-06-19 US disclosed
WO-2000040561-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 WO disclosed