SCHEMBL28103221

SCHEMBL28103221

COC(=O)c1c(C(F)(F)F)c(C(=O)c2ccccc2)n2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
IDO1 P14902 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL28103023 0.92 ALDH1A1 (0.44) HPGDNPSR1ALDH1A1MEN1KMT2A
SCHEMBL28103003 0.92 MAPT (0.45) ALDH1A1KMT2ASMN1; SMN2IDO1KDM4E
SCHEMBL28103214 0.91 KDM4E (0.53) HPGDNPSR1ALDH1A1MEN1KMT2A
SCHEMBL28103218 0.91 HPGD (0.45) HPGDNPSR1ALDH1A1MEN1KMT2A
SCHEMBL28103008 0.89 HPGD (0.43) HPGDNPSR1ALDH1A1MEN1KMT2A
SCHEMBL28835051 0.87 MAPT (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL28103004 0.86 KDM4E (0.50) HPGDNPSR1ALDH1A1MEN1KMT2A
SCHEMBL28103204 0.78 KDM4E (0.51) HPGDNPSR1ALDH1A1HTTSMN1; SMN2
SCHEMBL28103002 0.76 KDM4E (0.49) HPGDNPSR1ALDH1A1HTTSMN1; SMN2
SCHEMBL6218548 0.74 MEN1 (0.56) HPGDNPSR1ALDH1A1MEN1KMT2A

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-106045994-A Perfluoroalkyl indolizine derivative and synthesis method thereof 上海大学 2016-10-26 CN disclosed