SCHEMBL23152002

SCHEMBL23152002

COc1cc(C=O)c2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MCL1 Q07820 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
ERN1 O75460 2/20 0.45
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
CYP1A2 P05177 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
SCHEMBL29935837 1.00 LMNA (0.48) LMNAL3MBTL1MCL1MEN1KMT2A
SCHEMBL30251616 0.81 ALDH1A1 (0.42) LMNAL3MBTL1ERN1ALDH1A1KDM4E
SCHEMBL28910001 0.81 ALDH1A1 (0.42) LMNAL3MBTL1ERN1ALDH1A1KDM4E
SCHEMBL423891 0.79 L3MBTL1 (0.71) LMNAL3MBTL1MEN1KMT2APOLB
SCHEMBL29935705 0.77 CYP1A2 (0.63) L3MBTL1MEN1KMT2APOLBERN1
SCHEMBL1914529 0.77 CYP1A2 (0.63) L3MBTL1MEN1KMT2APOLBERN1
SCHEMBL12990293 0.77 CYP1A2 (0.40) LMNAL3MBTL1MCL1MEN1KMT2A
SCHEMBL19651360 0.77 NPC1 (0.44) LMNAMEN1KMT2APOLBERN1
SCHEMBL9361568 0.76 MAPT (0.66) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL19422787 0.76 NPC1 (0.49) LMNAL3MBTL1MEN1KMT2APOLB

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-112574175-B Quinoline compound, preparation method and application thereof 南京长澳医药科技有限公司 2023-11-14 CN disclosed
WO-2021057190-A1 QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF 上海阳帆医药科技有限公司 2021-04-01 WO disclosed
CN-112574175-A Quinoline compound, preparation method and application thereof 上海阳帆医药科技有限公司 2021-03-30 CN disclosed