SCHEMBL28025009

SCHEMBL28025009

COC(=O)c1c(C(F)(F)F)[nH]c2cc(Cl)ccc12

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.50
ALOX15 P16050 6/20 0.47
RAB9A P51151 1/20 0.47
ALOX5 P09917 3/20 0.44
MAP2K4 P45985 1/20 0.44

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
SCHEMBL28025008 0.89 ALOX5 (0.56) NR4A2RAB9AALOX5
SCHEMBL28024553 0.84 KDM4E (0.54) NR4A2ALOX15RAB9A
SCHEMBL28207427 0.83 KDM4E (0.50) ALOX15
SCHEMBL28024552 0.83 KIF11 (0.49) NR4A2ALOX15RAB9A
SCHEMBL28024559 0.83 RAB9A (0.52) NR4A2RAB9A
SCHEMBL28207450 0.83 RAB9A (0.52) RAB9A
SCHEMBL2082214 0.80 NR4A2 (0.63) NR4A2ALOX15ALOX5MAP2K4
SCHEMBL20867843 0.80 NR4A2 (0.63) NR4A2ALOX5
SCHEMBL28024566 0.80 KIF11 (0.46) RAB9A
SCHEMBL28024554 0.79 ALOX5 (0.54) NR4A2RAB9AALOX5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105646327-A 2-perfluoroalkyl indole derivative and synthesis method thereof 上海大学 2016-06-08 CN disclosed
CN-104892485-A 2-perfluoroalkyl indole derivative and synthesis method thereof UNIV SHANGHAI 2015-09-09 CN disclosed