SCHEMBL30396135

SCHEMBL30396135

COC(=O)c1cc2c(Cl)ccc(C(F)(F)F)c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.43
▸ GAA P10253 3/20 0.41
▸ GLA P06280 1/20 0.41
▸ FBP1 P09467 1/20 0.40
▸ ABL1 P00519 3/20 0.39
▸ SRC P12931 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KDR P35968 1/20 0.38
▸ CAPN1 P07384 1/20 0.38
▸ XDH P47989 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ALPL P05186 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL8319918 0.84 GLA (0.48) GAAGLAFBP1ABL1SRC
SCHEMBL30403320 0.83 EIF4A3 (0.48) FBP1KDRKDM4EMEN1KMT2A
SCHEMBL30310464 0.82 IDO1 (0.48) GAAGLAMAPTLMNAXDH
SCHEMBL18990285 0.82 IDO1 (0.48) GAAGLAMAPTLMNAXDH
SCHEMBL8320394 0.80 GLA (0.45) GAAGLAFBP1ABL1SRC
SCHEMBL8323279 0.79 XDH (0.50) GAAGLAFBP1ABL1SRC
SCHEMBL8324363 0.79 GAA (0.60) GAAGLAFBP1MAPTLMNA
SCHEMBL19332486 0.78 NOTUM (0.43) NOTUMABL1SRCMAPTLMNA
SCHEMBL8328414 0.78 GLA (0.43) GAAGLAFBP1ABL1SRC
SCHEMBL24020849 0.77 IDO1 (0.46) GAAGLAMAPTLMNAXDH

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-116096714-A Antiviral compounds for the treatment of coronavirus, picornavirus and norovirus infections 安力高医药股份有限公司 2023-05-09 — — CN disclosed
EP-4165037-A1 ANTI-VIRAL COMPOUNDS FOR TREATING CORONAVIRUS, PICORNAVIRUS, AND NOROVIRUS INFECTIONS Aligos Therapeutics, Inc. (US) 2023-04-19 — — EP disclosed
Send feedback