SCHEMBL20274266

SCHEMBL20274266

CCc1c(C)oc2ccc(C(F)(F)F)cc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ AKR1B1 P15121 1/20 0.38
▸ KIF11 P52732 2/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ THRB P10828 1/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.34
▸ EGFR P00533 1/20 0.33

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
SCHEMBL15727580 0.77 KIF11 (0.40) MEN1KMT2AAKR1B1KIF11EPHX2
SCHEMBL22044994 0.74 EPHX2 (0.47) AKR1B1KIF11EPHX2GRM4PIM1
SCHEMBL16629667 0.73 PON1 (0.58) MEN1KMT2A
SCHEMBL8183283 0.70 CA2 (0.54) THRB
SCHEMBL21116465 0.69 TP53 (0.46) KIF11EPHX2
SCHEMBL16441224 0.68 EPHX2 (0.42) KIF11EPHX2PIM1PIM2HRH4
SCHEMBL18015728 0.68 EPHX2 (0.54) KIF11EPHX2GRM4
SCHEMBL20893357 0.67 HIF1A (0.71) HIF1A
SCHEMBL16654745 0.67 MCL1 (0.46) MEN1KMT2AAKR1B1THRB
SCHEMBL24884734 0.67 MAOB (0.42) KMT2AHIF1A

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
EP-2922845-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL INC (US) 2018-06-20 — — EP disclosed
Send feedback