SCHEMBL20149223

SCHEMBL20149223

CNc1cc(C)c(N)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP7 P55210 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TERT O14746 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
CASP1 P29466 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
PRKCI P41743 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
UHRF1 Q96T88 1/20 0.31

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
SCHEMBL13658213 0.83 PRKCI (0.36) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL5518514 0.82 ALDH1A1 (0.36) ALDH1A1PRKCI
SCHEMBL18653117 0.81 RAPGEF4 (0.35) RAPGEF4LYNBTK
SCHEMBL10072631 0.79 CYP3A4 (0.55) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL11016831 0.79 ALDH1A1 (0.50) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL20149226 0.78 CYP3A4 (0.38) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL5514141 0.77 ALDH1A1 (0.36) ALDH1A1PRKCI
SCHEMBL29502024 0.76 CYP3A4 (0.55) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL966908 0.76 CYP3A4 (0.55) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL5514290 0.75 HSD17B10 (0.34) TSHRMAPK1ALDH1A1ALOX15HSD17B10

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
WO-2018089373-A9 STEROIDS AND PROTEIN-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2018-07-12 WO disclosed
WO-2018089373-A2 STEROIDS AND PROTEIN-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed