SCHEMBL23905587

SCHEMBL23905587

CC1(C)COc2c1cc(C(O)(CN)C(F)(F)F)nc2-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.33
MLYCD O95822 4/20 0.33
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
ESRRB O95718 1/20 0.32
ESRRA P11474 1/20 0.32
PTPN1 P18031 1/20 0.31
PLAU P00749 1/20 0.31
HEXA P06865 1/20 0.31
HEXB P07686 1/20 0.31
ALOX5 P09917 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL23904890 0.91 PTGS2 (0.33) PTGS1PTGS2
SCHEMBL23905933 0.88 MYC (0.30) MLYCD
SCHEMBL23905362 0.88 MYC (0.30) MLYCD
SCHEMBL23904859 0.88 MYC (0.30) MLYCD
SCHEMBL23905451 0.85 MLYCD (0.30) MLYCD
SCHEMBL16533010 0.84 TRPV1 (0.34) PTGS1PTGS2
SCHEMBL23904863 0.81 CFTR (0.32)
SCHEMBL23904787 0.81 CYP2C9 (0.32)
SCHEMBL23905494 0.81 CFTR (0.32)
SCHEMBL23905398 0.81 CFTR (0.32)

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