SCHEMBL25972998

SCHEMBL25972998

Oc1c(F)cc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.43
▸ NTRK1 P04629 1/20 0.43
▸ MAPT P10636 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TP53 P04637 2/20 0.41
▸ KIF11 P52732 1/20 0.41
▸ TAS2R14 Q9NYV8 1/20 0.40
▸ PGAM1 P18669 1/20 0.39
▸ FPR2 P25090 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ACP1 P24666 1/20 0.38
▸ JAK2 O60674 1/20 0.38

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
SCHEMBL16481432 0.81 KIF11 (0.52) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL25974055 0.79 EPHX2 (0.46) EPHX2MEN1KMT2AALDH1A1
SCHEMBL25973157 0.79 NTRK1 (0.50) EPHX2NTRK1MAPTMEN1KMT2A
SCHEMBL25430825 0.78 TP53 (0.45) EPHX2NTRK1MAPTMEN1KMT2A
SCHEMBL25377311 0.76 S1PR1 (0.45) EPHX2TAS2R14
SCHEMBL30519396 0.75 KIF11 (0.62) EPHX2NTRK1MAPTMEN1KMT2A
SCHEMBL25977555 0.75 KIF11 (0.53) EPHX2MAPTMEN1KMT2AALDH1A1
SCHEMBL25977664 0.75 KIF11 (0.62) EPHX2NTRK1MAPTMEN1KMT2A
SCHEMBL16481038 0.75 MEN1 (0.49) EPHX2MAPTMEN1KMT2AALDH1A1
SCHEMBL1921457 0.75 ALDH1A1 (0.55) EPHX2MAPTMEN1KMT2AALDH1A1

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-2023146513-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
Send feedback