SCHEMBL7977928

SCHEMBL7977928

CCCCCCCCCCn1c(=O)c(OCCCC)c(O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.52
CNR1 P21554 3/20 0.52
ACHE P22303 3/20 0.52
MAPT P10636 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 2/20 0.43
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
SCARB1 Q8WTV0 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 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
SCHEMBL6582097 0.95 CNR2 (0.47) CNR2CNR1ACHEMAPTMEN1
SCHEMBL7999657 0.92 MAPT (0.48) CNR2CNR1ACHEMAPTMEN1
SCHEMBL8001065 0.92 MAPT (0.48) CNR2CNR1ACHEMAPTMEN1
SCHEMBL6582030 0.92 MAPT (0.48) CNR2CNR1ACHEMAPTMEN1
SCHEMBL6578992 0.91 MAPT (0.49) CNR2CNR1ACHEMAPTMEN1
SCHEMBL7988860 0.90 CNR2 (0.49) CNR2CNR1ACHEMAPTMEN1
SCHEMBL7997111 0.90 CNR2 (0.49) CNR2CNR1ACHEMAPTMEN1
SCHEMBL8004570 0.90 CNR2 (0.49) CNR2CNR1ACHEMAPTMEN1
SCHEMBL8004184 0.90 CNR2 (0.49) CNR2CNR1ACHEMAPTMEN1
SCHEMBL7964620 0.89 CNR1 (0.53) CNR2CNR1ACHEMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1161337-C Chinolinelone derivative, its prepn. method and antiabnormal reaction agent ���ձ���ī��ѧ��ҵ��ʽ���� 2004-08-11 CN disclosed
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed
CN-1221738-A Chinolinelone derivative, its prepn. method and antiabnormal reaction agent DAINIPPON INK & CHEMICALS (JP) 1999-07-07 CN disclosed