SCHEMBL27490653

SCHEMBL27490653

O=C(O)c1ccc(CCNCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.61
MEN1 O00255 4/20 0.61
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 2/20 0.51
HPGD P15428 2/20 0.51
CYP2C19 P33261 2/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
POLB P06746 1/20 0.50
KCNH2 Q12809 1/20 0.50
MAPT P10636 4/20 0.48
GAA P10253 2/20 0.47
ATM Q13315 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL14326984 0.81 RXRA (0.51) NPC1RAB9ACYP1A2CYP3A4HPGD
SCHEMBL7594827 0.79 KMT2A (0.56) KMT2AMEN1NPC1RAB9ACYP1A2
SCHEMBL7840693 0.78 KDM4E (0.57) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL23529671 0.77 PTPRF (0.56) KMT2AMEN1CYP1A2CYP3A4HPGD
Bromide SCHEMBL11670771 0.77 KDM4E (0.56) KMT2AMEN1ALDH1A1KDM4EPOLB
Hydrochloric Acid SCHEMBL11669913 0.77 KDM4E (0.56) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL4626588 0.76 RXRA (0.48) NPC1RAB9ACYP1A2CYP3A4HPGD
SCHEMBL12569397 0.76 RXRA (0.48) NPC1RAB9ACYP1A2CYP3A4HPGD
SCHEMBL27511068 0.76 RXRA (0.48) NPC1RAB9ACYP1A2CYP3A4HPGD
SCHEMBL27892567 0.76 RXRA (0.48) NPC1RAB9ACYP1A2CYP3A4HPGD

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
CN-1161337-C Chinolinelone derivative, its prepn. method and antiabnormal reaction agent ���ձ���ī��ѧ��ҵ��ʽ���� 2004-08-11 CN disclosed
CN-1221738-A Chinolinelone derivative, its prepn. method and antiabnormal reaction agent DAINIPPON INK & CHEMICALS (JP) 1999-07-07 CN disclosed