SCHEMBL28207446

SCHEMBL28207446

Cc1ccc2[nH]c(C(F)(F)F)c(C(=O)O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
KIF11 P52732 2/20 0.50
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
GFER P55789 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
PIN1 Q13526 1/20 0.43
LDHA P00338 1/20 0.42
LDHB P07195 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
EGFR P00533 1/20 0.41
PADI4 Q9UM07 1/20 0.40
MAPK1 P28482 1/20 0.40
MAP2K4 P45985 1/20 0.40
MAPKAPK3 Q16644 1/20 0.40

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
SCHEMBL19317476 0.87 KDM4E (0.49) KDM4EKIF11MEN1KMT2AALDH1A1
SCHEMBL28024557 0.84 NR4A2 (0.49) KDM4EKIF11MEN1KMT2AALDH1A1
SCHEMBL6824313 0.83 MEN1 (0.56) KDM4EKIF11MEN1KMT2AALDH1A1
SCHEMBL28206987 0.82 KIF11 (0.47) KDM4EKIF11MEN1KMT2AALDH1A1
SCHEMBL28207454 0.82 MAP2 (0.47) KDM4EMEN1KMT2AHPGDMAPT
SCHEMBL28206996 0.81 ALDH1A1 (0.53) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL28062757 0.81 ALDH1A1 (0.42) KDM4EKIF11MEN1KMT2AALDH1A1
SCHEMBL28062838 0.79 KDM4E (0.40) KDM4EKIF11MEN1KMT2AALDH1A1
SCHEMBL18932673 0.79 ALDH1A1 (0.59) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL1115219 0.78 L3MBTL1 (0.53) MEN1KMT2APIN1L3MBTL1

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-104892485-B 2 perfluoroalkyl indole derivativeses and its synthetic method 上海麦克林生化科技有限公司 2018-03-23 CN disclosed