SCHEMBL7218161

SCHEMBL7218161

O=CC(=O)Cc1ccc(Cc2ccc(F)cc2)o1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
POLB P06746 2/20 0.35
USP2 O75604 1/20 0.35
CTBP2 P56545 1/20 0.35
MAPT P10636 1/20 0.34
CNR2 P34972 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL27555651 0.82 CTBP2 (0.38) KMT2AHTTGAASMN1; SMN2LMNA
SCHEMBL6451970 0.77 GAA (0.50) KMT2AHTTGAASMN1; SMN2LMNA
Water SCHEMBL17802313 0.76 GAA (0.48) KMT2AHTTGAASMN1; SMN2LMNA
SCHEMBL509869 0.75 ALDH1A1 (0.53) KMT2AHTTGAALMNAALDH1A1
SCHEMBL3222142 0.75 TDP1 (0.58) KMT2AHTTSMN1; SMN2POLBMAPT
SCHEMBL4677316 0.75 HTT (0.44) KMT2AHTTGAALMNANPSR1
SCHEMBL14149819 0.74 NPC1 (0.37) SMN1; SMN2POLBMAPTCNR2GPR55
SCHEMBL4673722 0.74 LMNA (0.40) KMT2ASMN1; SMN2LMNAPOLBMAPT
SCHEMBL3218824 0.73 HTT (0.43) HTTGAALMNANPSR1POLB
SCHEMBL3221601 0.73 HTT (0.47) KMT2AHTTGAALMNANPSR1

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
US-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 US disclosed