SCHEMBL4540738

SCHEMBL4540738

CCN(CC)c1ccc(-n2cccc2C(=O)O)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NOX1 Q9Y5S8 2/20 0.41
KDM4E B2RXH2 2/20 0.41
THRB P10828 1/20 0.41
S1PR1 P21453 1/20 0.40
AR P10275 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
GHSR Q92847 1/20 0.36
SLC16A3 O15427 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL4540121 0.88 TDP1 (0.43) L3MBTL1POLBAPEX1TDP1RAB9A
SCHEMBL4542227 0.87 ALDH1A1 (0.41) L3MBTL1POLBNPC1RAB9AMEN1
SCHEMBL4540644 0.78 POLB (0.47) L3MBTL1POLBAPEX1TDP1RAB9A
SCHEMBL4538964 0.76 LIPG (0.43) POLBTDP1KMT2ATP53CYP3A4
SCHEMBL4538950 0.75 POLB (0.43) L3MBTL1POLBAPEX1TDP1KMT2A
SCHEMBL4539208 0.73 POLB (0.44) L3MBTL1POLBAPEX1TDP1MAPT
SCHEMBL4543616 0.71 BRD9 (0.40) L3MBTL1POLBAPEX1TDP1
SCHEMBL4539354 0.71 KMO (0.45) L3MBTL1POLBAPEX1TDP1ALDH1A1
SCHEMBL8721284 0.70 GRIA1 (0.57) L3MBTL1POLBAPEX1TDP1
SCHEMBL4540603 0.69 POLB (0.38) L3MBTL1POLBAPEX1TDP1

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-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed