SCHEMBL21739999

SCHEMBL21739999

Cc1cc2c(F)ccc(C)c2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HRH4 Q9H3N8 1/20 0.45
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AHR P35869 1/20 0.36
KIF11 P52732 1/20 0.35
SETD2 Q9BYW2 7/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
NSD2 O96028 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE7A Q13946 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
SCHEMBL21886096 0.86 HRH4 (0.40) GAAMAPTALDH1A1POLBRXFP1
SCHEMBL22408523 0.85 KDM4E (0.41) GAAMAPTALDH1A1POLBRXFP1
SCHEMBL50614 0.84 ALDH1A1 (0.53) GAAMAPTALDH1A1POLBRXFP1
SCHEMBL22408352 0.79 ADRA2A (0.39) GAAMAPTALDH1A1POLBRXFP1
SCHEMBL25134297 0.78 GAA (0.36) GAAMAPTALDH1A1POLBRXFP1
SCHEMBL25134421 0.77 GAA (0.40) GAAMAPTALDH1A1POLBRXFP1
SCHEMBL25134479 0.76 ALDH1A1 (0.33) GAAMAPTALDH1A1POLBRXFP1
SCHEMBL22408291 0.76 KDM4E (0.44) GAAMAPTALDH1A1POLBKDM4E
SCHEMBL22052047 0.75 HRH4 (0.43) KDM4EHRH4SETD2NSD2PDE7A
SCHEMBL25134420 0.75 ALDH1A1 (0.32) GAAMAPTALDH1A1POLBRXFP1

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-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 WO disclosed