SCHEMBL27574129

SCHEMBL27574129

Cc1cc(N2CCCCC2)c2ccc(-c3ccc(C(C)C(=O)C(C)c4ccc(-c5ccc6c(N7CCCCC7)cc(C)nc6c5)cc4)cc3)cc2n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.52
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPY5R Q15761 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
EGLN1 Q9GZT9 2/20 0.39
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL27525088 0.89 NCF1 (0.54) NCF1KMT2AMEN1USP2HSD17B10
SCHEMBL27574131 0.84 NCF1 (0.52) NCF1KMT2AMEN1NPY5RADRB2
SCHEMBL5404498 0.83 NCF1 (0.55) NCF1KMT2AMEN1NPY5RADRB2
SCHEMBL5406740 0.81 NCF1 (0.53) NCF1KMT2AMEN1NPY5RADRB2
SCHEMBL5401181 0.81 NCF1 (0.74) NCF1KMT2AMEN1NPY5RADRB2
SCHEMBL5397410 0.80 NCF1 (0.72) NCF1KMT2AMEN1NPY5RADRB2
SCHEMBL27550363 0.79 NCF1 (0.59) NCF1KMT2AMEN1NPY5RADRB2
SCHEMBL5420552 0.79 NCF1 (0.50) NCF1KMT2AMEN1ADRB2ADRB1
SCHEMBL5412918 0.79 MEN1 (0.57) NCF1KMT2AMEN1LMNAHSD17B10
SCHEMBL7137892 0.78 NCF1 (0.55) NCF1KMT2AMEN1NPY5RADRB2

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-1274676-C Quinoline and quinazoline derivatives HOFFMANN LA ROCHE (CH) 2006-09-13 CN disclosed
CN-1444563-A Quinoline and quinazoline derivatives HOFFMANN LA ROCHE (CH) 2003-09-24 CN disclosed