SCHEMBL10584591

SCHEMBL10584591

COc1ccc(CC(=O)Cc2ccccn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPSR1 Q6W5P4 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
VNN1 O95497 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
SYK P43405 2/20 0.47
AURKB Q96GD4 2/20 0.47
INCENP Q9NQS7 2/20 0.47

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
SCHEMBL10578507 0.83 L3MBTL1 (0.51) MEN1KMT2ANPSR1SMN1; SMN2KDM4E
SCHEMBL10577438 0.82 POLB (0.61) SMN1; SMN2KDM4EHPGDNPC1RAB9A
SCHEMBL10573017 0.82 MEN1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2KDM4E
SCHEMBL4032340 0.81 NPC1 (0.66) SMN1; SMN2L3MBTL1NPC1RAB9AUSP2
SCHEMBL6283263 0.81 RAB9A (0.66) MEN1KMT2ASMN1; SMN2KDM4EHPGD
SCHEMBL3628705 0.80 HTT (0.68) KMT2ASMN1; SMN2KDM4ELMNAL3MBTL1
SCHEMBL2142240 0.80 RAB9A (0.58) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C19
SCHEMBL10577883 0.80 RAB9A (0.65) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL7079799 0.80 L3MBTL1 (0.58) KMT2ASMN1; SMN2KDM4ELMNAL3MBTL1
SCHEMBL28144225 0.80 RAB9A (0.65) KMT2ASMN1; SMN2KDM4ELMNAL3MBTL1

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
CN-108794385-A A method of synthesis phenylethynylpyridin derivative 陕西师范大学 2018-11-13 CN disclosed
US-4877795-A 4H-quinolizin-4-one compounds useful for the treatment of allergic bronchial asthma, allergic rhinitis atropic dermatitis and the like KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-10-31 US disclosed
EP-0277755-A1 4H-quinolizin-4-one compounds exhibiting therapeutic activities Kissei Pharmaceutical Co. Ltd. (JP) 1988-08-10 EP disclosed