SCHEMBL27768897

SCHEMBL27768897

NCc1ccc(C(NC(=O)CCc2ccccc2)c2ccc3cccnc3c2O)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.67
HSP90AA1 P07900 10/20 0.67
NPC1 O15118 7/20 0.67
L3MBTL1 Q9Y468 5/20 0.67
KMT2A Q03164 3/20 0.67
SLC2A1 P11166 2/20 0.66
PAX8 Q06710 4/20 0.65
MEN1 O00255 1/20 0.62
ADAMTS5 Q9UNA0 1/20 0.61
KDM4E B2RXH2 2/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.59
HTT P42858 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
ALOX12 P18054 1/20 0.59
HKDC1 Q2TB90 1/20 0.57
TEAD4 Q15561 1/20 0.56
POLB P06746 1/20 0.54

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
SCHEMBL2152987 0.89 SLC2A1 (0.82) RAB9AHSP90AA1NPC1L3MBTL1KMT2A
SCHEMBL2153761 0.89 HSP90AA1 (0.77) RAB9AHSP90AA1NPC1L3MBTL1KMT2A
SCHEMBL4044414 0.87 RAB9A (0.79) RAB9AHSP90AA1NPC1L3MBTL1KMT2A
SCHEMBL2153396 0.83 RAB9A (0.63) RAB9AHSP90AA1NPC1L3MBTL1KMT2A
SCHEMBL4039326 0.82 RAB9A (0.78) RAB9AHSP90AA1NPC1L3MBTL1KMT2A
SCHEMBL13836264 0.82 RAB9A (0.60) RAB9AHSP90AA1NPC1L3MBTL1KMT2A
SCHEMBL609720 0.81 RAB9A (0.74) RAB9AHSP90AA1NPC1L3MBTL1KMT2A
SCHEMBL13498054 0.81 RAB9A (1.00) RAB9AHSP90AA1NPC1L3MBTL1KMT2A
SCHEMBL16810206 0.79 RAB9A (1.00) RAB9AHSP90AA1NPC1L3MBTL1KMT2A
SCHEMBL16810205 0.78 RAB9A (0.83) RAB9AHSP90AA1NPC1L3MBTL1KMT2A

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-101611009-A Quinoline derivatives CHRONOGEN INC (US) 2009-12-23 CN claimed
CN-101611009-A Quinoline derivatives CHRONOGEN INC (US) 2009-12-23 CN disclosed