SCHEMBL21886515

SCHEMBL21886515

Cc1c(-c2ccc(CC#N)cc2)oc2ccccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
TSHR P16473 2/20 0.49
TP53 P04637 2/20 0.49
RET P07949 2/20 0.49
ALOX12 P18054 1/20 0.49
KDR P35968 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 6/20 0.47
CYP3A4 P08684 4/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ABCG2 Q9UNQ0 2/20 0.45
MEN1 O00255 2/20 0.45
ALOX15 P16050 2/20 0.45
MAPK1 P28482 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL8607746 0.80 TSHR (0.72) LMNATSHRTP53RETALOX12
3-Methyl-2-Phenyl-4H-Chromen-4-One SCHEMBL694139 0.80 ALDH1A1 (0.68) LMNATSHRTP53RETALOX12
SCHEMBL27406417 0.77 DDR2 (0.58) LMNATSHRTP53RETALOX12
SCHEMBL311968 0.77 CYP3A4 (0.72) LMNATSHRTP53RETALOX12
SCHEMBL10022780 0.76 TNKS (0.57) LMNATSHRTP53RETALOX12
SCHEMBL27404210 0.75 ABCG2 (0.76) LMNATSHRTP53ALDH1A1CYP3A4
SCHEMBL311257 0.74 CYP3A4 (0.62) LMNATSHRTP53RETALOX12
SCHEMBL10800708 0.71 NTRK1 (0.53) LMNATSHRTP53RETALOX12
SCHEMBL11497614 0.70 PTPN1 (0.39) KMT2AKCNH2PTPN1MAPT
SCHEMBL30637631 0.69 ALDH1A1 (0.54) LMNATSHRTP53HTTALDH1A1

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-2020052774-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-03-19 WO disclosed