SCHEMBL28883104

SCHEMBL28883104

Cc1cc(-c2ccccc2)c2cc(Cl)ccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.61
AURKA O14965 1/20 0.59
AURKB Q96GD4 1/20 0.59
ELANE P08246 1/20 0.55
KDM4E B2RXH2 5/20 0.50
FABP3 P05413 1/20 0.50
FABP4 P15090 1/20 0.50
MAT2A P31153 1/20 0.50
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.49
ADORA1 P30542 1/20 0.48
DHODH Q02127 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 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
SCHEMBL28046810 0.89 POLB (0.60) MAPK1AURKAAURKBELANEKDM4E
SCHEMBL14409758 0.83 ALDH1A1 (0.65) MAPK1KDM4ELMNAL3MBTL1DHODH
SCHEMBL30064613 0.83 ALDH1A1 (0.65) MAPK1KDM4ELMNAL3MBTL1DHODH
SCHEMBL8956330 0.83 MAPK1 (0.85) MAPK1AURKAAURKBELANEKDM4E
SCHEMBL11826284 0.83 MAPK1 (0.65) MAPK1AURKAAURKBELANEKDM4E
SCHEMBL28883096 0.82 LMNA (0.60) MAPK1AURKAAURKBKDM4ELMNA
SCHEMBL7770732 0.81 AURKA (0.73) MAPK1AURKAAURKBELANEKDM4E
SCHEMBL8410911 0.81 MAPK1 (0.82) MAPK1AURKAAURKBELANEKDM4E
SCHEMBL1104820 0.80 CYP1A2 (0.62) KDM4EPOLBMAPTALDH1A1HPGD
SCHEMBL497480 0.80 MAPK1 (0.61) MAPK1AURKAAURKBELANEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110092751-B Synthesis method of 2-alkyl quinoline 安徽工程大学宣城产业技术研究院有限公司 2022-11-11 CN disclosed