SCHEMBL28566549

SCHEMBL28566549

O=COCc1cc(-c2ccccc2)c2cc(Br)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 3/20 0.40
ATM Q13315 2/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RXFP1 Q9HBX9 3/20 0.40
PPARG P37231 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
GRM2 Q14416 1/20 0.37
MAPT P10636 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36

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
SCHEMBL28560877 0.85 ACACA (0.44) ALDH1A1KMT2AATMMEN1L3MBTL1
SCHEMBL28550126 0.85 MAPK1 (0.50) ALDH1A1KMT2AMEN1L3MBTL1RXFP1
SCHEMBL28550499 0.85 PRNP (0.41) PRNPPOLBALDH1A1RXFP1MAPT
SCHEMBL28565686 0.85 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL28563728 0.82 AURKA (0.47) ALDH1A1KMT2AMEN1RXFP1MAPT
SCHEMBL28550497 0.79 GRM2 (0.42) ALDH1A1KMT2AMEN1L3MBTL1GRM2
SCHEMBL28559495 0.79 LTB4R (0.46) KMT2AMEN1RXFP1PTGDR2TUBB4A
SCHEMBL28554782 0.79 GRM2 (0.39) PRNPPOLBALDH1A1KMT2AMEN1
SCHEMBL28912506 0.77 KDM4E (0.53) POLBALDH1A1KMT2AMEN1RXFP1
SCHEMBL28313335 0.74 HDAC1 (0.45) KMT2AMEN1DPP4

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-106366035-B Synthesis method of quinoline derivative 南阳师范学院 2021-05-07 CN disclosed