SCHEMBL28558680

SCHEMBL28558680

COC(=O)c1cc2cccnc2nc1C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
MAP2K1 Q02750 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ACHE P22303 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SLC40A1 Q9NP59 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL28912380 0.85 TSHR (0.52) ALOX15HTTKDM4EALDH1A1HPGD
SCHEMBL31345639 0.85 ALOX15 (0.49) ALOX15HTTKDM4EALDH1A1HPGD
SCHEMBL3307271 0.85 ALOX15 (0.49) ALOX15HTTKDM4EALDH1A1HPGD
SCHEMBL15128363 0.84 ALOX15 (0.48) ALOX15HTTKDM4EALDH1A1HPGD
SCHEMBL253152 0.84 KDM4E (0.48) ALOX15HTTKDM4EALDH1A1HPGD
SCHEMBL3458121 0.83 SMN1; SMN2 (0.53) HTTKDM4EALDH1A1NPC1RAB9A
SCHEMBL125290 0.83 LMNA (0.51) ALOX15KDM4EALDH1A1HPGDNPSR1
SCHEMBL10233174 0.82 ALDH1A1 (0.49) ALOX15KDM4EALDH1A1HPGDTDP1
SCHEMBL5897292 0.81 LMNA (0.42) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5200908 0.81 PARP1 (0.50) KDM4EALDH1A1HPGDNPC1RAB9A

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-112778306-B Synthesis method of 1, 8-naphthyridine derivative 吉林化工学院 2024-01-26 CN disclosed
CN-112778306-A Synthetic method of 1, 8-naphthyridine derivative 吉林化工学院 2021-05-11 CN disclosed