SCHEMBL27583246

SCHEMBL27583246

NC(=O)c1cncc2ccccc12.[H+]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
PIM1 P11309 1/20 0.43
SIRT3 Q9NTG7 4/20 0.42
SIRT2 Q8IXJ6 3/20 0.42
SIRT1 Q96EB6 3/20 0.42
IKBKB O14920 1/20 0.42
PRKCZ Q05513 1/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
PLK4 O00444 1/20 0.41
CHEK1 O14757 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
SCHEMBL1121657 0.98 KDM4E (0.50) KDM4EHTTALDH1A1GAAPIM1
SCHEMBL30241191 0.98 KDM4E (0.50) KDM4EHTTALDH1A1GAAPIM1
SCHEMBL7374228 0.82 CDC25B (0.48) HTTPRKCZKMT2ATDP1NR4A1
SCHEMBL2149297 0.81 NR4A1 (0.59) KDM4EALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL30430793 0.81 NR4A1 (0.59) KDM4EALDH1A1KMT2APOLBSMN1; SMN2
Bromide SCHEMBL7369447 0.81 CDC25B (0.47) HTTPRKCZKMT2ATDP1NR4A1
SCHEMBL6627806 0.79 PRKCZ (0.43) KDM4EHTTALDH1A1PRKCZKMT2A
SCHEMBL5800959 0.79 SIRT3 (0.56) KDM4EHTTALDH1A1PIM1SIRT3
SCHEMBL22389411 0.79 PRKCZ (0.43) KDM4EHTTALDH1A1PRKCZKMT2A
Hydrochloric Acid SCHEMBL4617820 0.79 NR4A1 (0.57) KDM4EALDH1A1KMT2APOLBSMN1; SMN2

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-100575345-C 2 type Cannabined receptors are had in conjunction with active Pyridione derivatives SHIONOGI & CO 2009-12-30 CN disclosed
CN-1492856-A Pyridone derivative having affinity for cannabinoid 2-type receptor ��Ұ����ҩ��ʽ���� 2004-04-28 CN disclosed