SCHEMBL30864787

SCHEMBL30864787

CCOC(=O)Cc1cccc(C(F)(F)F)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.47
POLB P06746 2/20 0.46
ALDH1A1 P00352 3/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
MAPK1 P28482 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 3/20 0.44
TP53 P04637 2/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TLR9 Q9NR96 2/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
BCL2A1 Q16548 1/20 0.44
P2RX7 Q99572 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MBOAT4 Q96T53 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL534133 1.00 SYK (0.47) SYKPOLBALDH1A1CYP2C9CYP2C19
SCHEMBL31646435 0.85 P2RX7 (0.49) SYKPOLBL3MBTL1KMT2ATP53
SCHEMBL2373934 0.82 P2RX7 (0.43) SYKKMT2AP2RX7MBOAT4MAOB
SCHEMBL26046016 0.80 P2RX7 (0.49) NPSR1P2RX7MBOAT4MAOB
SCHEMBL1135252 0.80 ALDH1A1 (0.48) POLBALDH1A1CYP2C9CYP2C19L3MBTL1
SCHEMBL14677477 0.78 KMT2A (0.47) POLBALDH1A1CYP2C9CYP2C19L3MBTL1
SCHEMBL22070548 0.78 KMT2A (0.47) POLBALDH1A1CYP2C9CYP2C19MAPK1
SCHEMBL30730161 0.78 CYP1A2 (0.44) POLBALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL29755971 0.78 P2RX7 (0.50) SYKCYP2C19P2RX7SMN1; SMN2MBOAT4
SCHEMBL868879 0.78 P2RX7 (0.50) SYKCYP2C19P2RX7SMN1; SMN2MBOAT4

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
CN-117903140-A Imidazopyrimidines and triazolopyrimidines as A2A/A2B inhibitors 因赛特公司 2024-04-19 CN disclosed