SCHEMBL2053937

SCHEMBL2053937

CCc1nn2cccc(CC)c2c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
ALOX15 P16050 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
BID P55957 3/20 0.33
MCL1 Q07820 3/20 0.33
BCL2L1 Q07817 2/20 0.33
BAK1 Q16611 2/20 0.33
KAT8 Q9H7Z6 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GABRP O00591 1/20 0.33

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
SCHEMBL13851431 0.93 ALOX15 (0.36) POLBMTNR1AMTNR1BALOX15GAA
SCHEMBL24338065 0.78 DUSP3 (0.36) POLBGAATDP1LMNACYP1A2
SCHEMBL3226491 0.77 PDE4D (0.42) GAAL3MBTL1MEN1KMT2ALMNA
SCHEMBL2035471 0.77 EGFR (0.48) POLBALOX15GAAMEN1KMT2A
SCHEMBL29491521 0.76 SMN1; SMN2 (0.37) POLBGAAL3MBTL1MEN1KMT2A
SCHEMBL29241266 0.75 POLB (0.45) POLBGAAL3MBTL1TDP1MEN1
SCHEMBL172150 0.73 MTNR1B (0.63) MTNR1AMTNR1B
SCHEMBL172474 0.73 HTR2A (0.38) POLBMTNR1AMTNR1BALOX15L3MBTL1
SCHEMBL28467069 0.71 PDE4D (0.45) GAAMEN1KMT2ALMNACYP1A2
SCHEMBL2961663 0.71 TP53 (0.37) POLBMTNR1AMTNR1BALOX15GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011075643-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed