SCHEMBL4371682

SCHEMBL4371682

NNc1nccc(C(F)(F)F)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
POLB P06746 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
P2RX7 Q99572 3/20 0.33
GAA P10253 2/20 0.33
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
PIK3CD O00329 1/20 0.32
NOTUM Q6P988 1/20 0.31
RAB9A P51151 1/20 0.31
GOT1 P17174 1/20 0.31
NPC1 O15118 1/20 0.31
GRM4 Q14833 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL20088854 0.75 NOS2 (0.39) POLBP2RX7GAANOS3NOS2
SCHEMBL31097846 0.75 NOS2 (0.39) POLBP2RX7GAANOS3NOS2
SCHEMBL7690225 0.74 ALDH1A1 (0.36) ALDH1A1POLBTDP1L3MBTL1MAPT
SCHEMBL18940676 0.74 AXL (0.36) ALDH1A1POLBTDP1MAPTKDM4E
SCHEMBL364870 0.74 P2RX7 (0.36) POLBP2RX7NOS3NOS2PIK3CD
SCHEMBL30147779 0.74 AXL (0.36) ALDH1A1POLBTDP1MAPTKDM4E
SCHEMBL358590 0.73 ALDH1A1 (0.47) ALDH1A1POLBTDP1L3MBTL1MAPT
SCHEMBL29564876 0.73 ALDH1A1 (0.47) ALDH1A1POLBTDP1L3MBTL1MAPT
SCHEMBL6805218 0.72 AAK1 (0.38) TDP1P2RX7NOS3NOS2PIK3CD
SCHEMBL22056622 0.71 P2RX7 (0.38) ALDH1A1POLBTDP1L3MBTL1P2RX7

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