SCHEMBL8287909

SCHEMBL8287909

COc1ccc(Nc2cc(=O)c3cc(F)c(N4CCCCC4)nc3n2-c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
GALR2 O43603 10/20 0.43
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL8287907 0.87 EGFR (0.41) MAPTKMT2ASMN1; SMN2NPSR1MEN1
SCHEMBL8285132 0.82 APP (0.40) MAPTKMT2ALMNAHTTSMN1; SMN2
SCHEMBL8287169 0.80 PDE11A (0.47) MAPTKMT2ALMNAHTTSMN1; SMN2
SCHEMBL8287901 0.79 MAPT (0.48) MAPTKMT2ALMNAHTTSMN1; SMN2
SCHEMBL6796967 0.79 TRPV4 (0.41) MAPTKMT2ALMNAHTTSMN1; SMN2
SCHEMBL8287143 0.76 BTK (0.39) MAPTKMT2AHTTSMN1; SMN2MEN1
SCHEMBL8285179 0.76 PDE11A (0.58) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL8287932 0.75 KDM4E (0.40) LMNAHTTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL5871610 0.73 MEN1 (0.43) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL8287906 0.72 L3MBTL1 (0.39) MAPTKMT2ALMNAHTTSMN1; SMN2

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
WO-2005091857-A2 1,6-NAPHTHYRIDINE AND 1,8-NAPHTHYRIDINE DERIVATIVES AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO disclosed
WO-2003027112-A1 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed