SCHEMBL23707382

SCHEMBL23707382

Cc1cc(CN)c(F)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CYP1A2 P05177 1/20 0.50
ALOX15 P16050 1/20 0.50
CASP7 P55210 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP3A4 P08684 3/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
TERT O14746 1/20 0.34
S100B P04271 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
TAAR1 Q96RJ0 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL17645789 0.81 ALDH1A1 (0.34) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL24697672 0.81 ALDH1A1 (0.48) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL4889962 0.79 ALDH1A1 (0.37) ALDH1A1TDP1MEN1KMT2ATAAR1
SCHEMBL29467943 0.79 ALDH1A1 (0.37) ALDH1A1TDP1MEN1KMT2ATAAR1
SCHEMBL31593875 0.77 CD44 (0.41) CYP3A4TDP1NPC1RAB9ATAAR1
SCHEMBL1753944 0.77 RAD52 (0.39) ALDH1A1CYP1A2ALOX15HIF1AHSD17B10
SCHEMBL29502024 0.76 CYP3A4 (0.55) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL966908 0.76 CYP3A4 (0.55) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL13527770 0.75 LOXL2 (0.42) ALOX15HSD17B10MAPK1TDP1MEN1
Hydrochloric Acid SCHEMBL2105584 0.75 RAD52 (0.41) ALDH1A1CYP1A2ALOX15HIF1AHSD17B10

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-2021154902-A1 COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF ANIMA BIOTECH INC. (US) 2021-08-05 WO disclosed