SCHEMBL23905342

SCHEMBL23905342

O=C(c1cc2c(c(-c3ccc(F)cc3)n1)OCC2(CF)CF)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.34
CFTR P13569 4/20 0.33
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
DHODH Q02127 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL23905333 0.95 MAP2K4 (0.32) MAP2K4CFTRHDAC4HDAC1HDAC6
SCHEMBL23905339 0.94 MAP2K4 (0.32) MAP2K4CFTRHDAC4HDAC1HDAC6
SCHEMBL23905349 0.94 CFTR (0.33) MAP2K4CFTRHDAC4HDAC1HDAC6
SCHEMBL23905330 0.90 CFTR (0.31) CFTR
SCHEMBL23905338 0.88 MAP2K4 (0.32) MAP2K4CFTRHDAC4HDAC1HDAC6
SCHEMBL23905340 0.88 CFTR (0.33) MAP2K4CFTRHDAC4HDAC1HDAC6
SCHEMBL23905462 0.87 CFTR (0.36) MAP2K4CFTRHDAC4HDAC1HDAC6
SCHEMBL23905341 0.87
SCHEMBL23905594 0.87 HDAC1 (0.31) HDAC1HDAC6PTGDR2GRM2
SCHEMBL23905607 0.87 KDM4E (0.33) CFTRPTGDR2KDM4EALDH1A1GRM2

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-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed